 Entering Gaussian System, Link 0=g16
 Input=28_pantolactone_Chair_STD_LCPBE_augccpVDZ.in
 Output=28_pantolactone_Chair_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/28_pantolactone_Chair_STD/Gau-31078.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/28_pantolactone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     31080.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                28-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=28_pantolactone_Chair_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028000
 0000,3/108=0280000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=280000000,108=280000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Jul 28 19:15:44 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "28_pantolactone_Chair_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.391473000000     -0.248303000000     -0.123357000000
  C                                                -0.243522000000      0.655863000000     -0.542507000000
  C                                                 0.981653000000     -0.084895000000      0.017922000000
  C                                                 0.496618000000     -1.529573000000     -0.204524000000
  O                                                -0.939721000000     -1.510078000000      0.006228000000
  O                                                -2.521298000000      0.090990000000      0.087826000000
  O                                                -0.412527000000      1.974539000000     -0.102863000000
  H                                                -0.197683000000      0.620961000000     -1.642905000000
  H                                                 0.917744000000     -2.241771000000      0.501987000000
  H                                                 0.687270000000     -1.873494000000     -1.223519000000
  H                                                -1.358566000000      2.100303000000      0.062355000000
  C                                                 1.149948000000      0.199957000000      1.512528000000
  C                                                 2.267170000000      0.215237000000     -0.742530000000
  H                                                 0.252859000000     -0.059462000000      2.077615000000
  H                                                 1.351897000000      1.256730000000      1.677591000000
  H                                                 1.982205000000     -0.382220000000      1.911899000000
  H                                                 2.149353000000      0.028869000000     -1.811924000000
  H                                                 3.090365000000     -0.403337000000     -0.378159000000
  H                                                 2.550560000000      1.260108000000     -0.609664000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          16          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1          12          12           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Wed Jul 28 19:15:44 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.391473   -0.248303   -0.123357
      2          6           0       -0.243522    0.655863   -0.542507
      3          6           0        0.981653   -0.084895    0.017922
      4          6           0        0.496618   -1.529573   -0.204524
      5          8           0       -0.939721   -1.510078    0.006228
      6          8           0       -2.521298    0.090990    0.087826
      7          8           0       -0.412527    1.974539   -0.102863
      8          1           0       -0.197683    0.620961   -1.642905
      9          1           0        0.917744   -2.241771    0.501987
     10          1           0        0.687270   -1.873494   -1.223519
     11          1           0       -1.358566    2.100303    0.062355
     12          6           0        1.149948    0.199957    1.512528
     13          6           0        2.267170    0.215237   -0.742530
     14          1           0        0.252859   -0.059462    2.077615
     15          1           0        1.351897    1.256730    1.677591
     16          1           0        1.982205   -0.382220    1.911899
     17          1           0        2.149353    0.028869   -1.811924
     18          1           0        3.090365   -0.403337   -0.378159
     19          1           0        2.550560    1.260108   -0.609664
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.520196   0.000000
     3  C    2.382937   1.537484   0.000000
     4  C    2.283228   2.331988   1.540077   0.000000
     5  O    1.346458   2.340321   2.392271   1.451849   0.000000
     6  O    1.198425   2.429952   3.508060   3.437951   2.251991
     7  O    2.428947   1.400270   2.489899   3.621558   3.525959
     8  H    2.118910   1.101905   2.155786   2.678767   2.794922
     9  H    3.114073   3.291776   2.211451   1.087994   2.057019
    10  H    2.858807   2.779892   2.197026   1.092237   2.071581
    11  H    2.356167   1.922391   3.202138   4.085209   3.635029
    12  C    3.055467   2.524436   1.530788   2.523169   3.091905
    13  C    3.739507   2.556899   1.523457   2.543357   3.717728
    14  H    2.753864   2.761000   2.184977   2.725583   2.795922
    15  H    3.610349   2.799150   2.165996   3.469487   3.962347
    16  H    3.942322   3.472115   2.162558   2.828893   3.666237
    17  H    3.932624   2.780358   2.173661   2.782806   3.900822
    18  H    4.491751   3.501959   2.169090   2.833034   4.196930
    19  H    4.248697   2.859461   2.159714   3.487856   4.498368
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.833908   0.000000
     8  H    2.945418   2.061568   0.000000
     9  H    4.176160   4.462369   3.746995   0.000000
    10  H    3.984185   4.156054   2.679801   1.779359   0.000000
    11  H    2.321623   0.968557   2.538506   4.922242   4.650804
    12  C    3.939505   2.863557   3.456893   2.652762   3.463989
    13  C    4.861518   3.268806   2.655332   3.067028   2.662749
    14  H    3.417286   3.055222   3.808967   2.772571   3.791690
    15  H    4.346026   2.607385   3.719018   3.716187   4.319314
    16  H    4.881876   3.917693   4.288929   2.564929   3.705617
    17  H    5.042607   3.642767   2.426462   3.467975   2.470403
    18  H    5.652633   4.242680   3.668791   2.979057   2.941235
    19  H    5.251388   3.089845   3.004819   4.020574   3.697043
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.465106   0.000000
    13  C    4.165006   2.516685   0.000000
    14  H    3.364899   1.091508   3.476511   0.000000
    15  H    3.266070   1.088484   2.789161   1.760757   0.000000
    16  H    4.554611   1.091366   2.735718   1.766995   1.771538
    17  H    4.484335   3.475638   1.091887   4.328164   3.784216
    18  H    5.123988   2.775586   1.092268   3.768357   3.162942
    19  H    4.054479   2.754874   1.090742   3.773879   2.582313
                   16         17         18         19
    16  H    0.000000
    17  H    3.750172   0.000000
    18  H    2.544176   1.768612   0.000000
    19  H    3.062442   1.767016   1.764096   0.000000
 Stoichiometry    C6H10O3
 Framework group  C1[X(C6H10O3)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.56D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.391473   -0.248303   -0.123357
      2          6           0       -0.243522    0.655863   -0.542507
      3          6           0        0.981653   -0.084895    0.017922
      4          6           0        0.496618   -1.529573   -0.204524
      5          8           0       -0.939721   -1.510078    0.006228
      6          8           0       -2.521298    0.090990    0.087826
      7          8           0       -0.412527    1.974539   -0.102863
      8          1           0       -0.197683    0.620961   -1.642905
      9          1           0        0.917744   -2.241771    0.501987
     10          1           0        0.687270   -1.873494   -1.223519
     11          1           0       -1.358566    2.100303    0.062355
     12          6           0        1.149948    0.199957    1.512528
     13          6           0        2.267170    0.215237   -0.742530
     14          1           0        0.252859   -0.059462    2.077615
     15          1           0        1.351897    1.256730    1.677591
     16          1           0        1.982205   -0.382220    1.911899
     17          1           0        2.149353    0.028869   -1.811924
     18          1           0        3.090365   -0.403337   -0.378159
     19          1           0        2.550560    1.260108   -0.609664
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4218185           1.5727158           1.2192347
 Leave Link  202 at Wed Jul 28 19:15:45 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     14     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4     12     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    35 alpha electrons       35 beta electrons
       nuclear repulsion energy       497.2901348258 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.280000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.280000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Jul 28 19:15:47 2021, MaxMem=  5637144576 cpu:              14.5 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  7.61D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Wed Jul 28 19:15:50 2021, MaxMem=  5637144576 cpu:              19.7 elap:               2.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Jul 28 19:15:51 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "28_pantolactone_Chair_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Jul 28 19:15:53 2021, MaxMem=  5637144576 cpu:               9.3 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636940527 LenY=  5636840861
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -459.107541655795    
 DIIS: error= 4.74D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -459.107541655795     IErMin= 1 ErrMin= 4.74D-05
 ErrMax= 4.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-06 BMatP= 2.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=6.93D-05 MaxDP=7.37D-03              OVMax= 4.14D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.30D-05    CP:  9.99D-01
 E= -459.107545365250     Delta-E=       -0.000003709455 Rises=F Damp=F
 DIIS: error= 1.71D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -459.107545365250     IErMin= 2 ErrMin= 1.71D-05
 ErrMax= 1.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.72D-07 BMatP= 2.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.246D-01 0.102D+01
 Coeff:     -0.246D-01 0.102D+01
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=1.07D-05 MaxDP=5.22D-04 DE=-3.71D-06 OVMax= 1.78D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.56D-06    CP:  9.98D-01  1.09D+00
 E= -459.107545457846     Delta-E=       -0.000000092596 Rises=F Damp=F
 DIIS: error= 2.42D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -459.107545457846     IErMin= 2 ErrMin= 1.71D-05
 ErrMax= 2.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.17D-07 BMatP= 2.72D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.994D-01 0.596D+00 0.503D+00
 Coeff:     -0.994D-01 0.596D+00 0.503D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=3.74D-06 MaxDP=1.98D-04 DE=-9.26D-08 OVMax= 9.11D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.15D-06    CP:  9.98D-01  1.11D+00  8.72D-01
 E= -459.107545690950     Delta-E=       -0.000000233104 Rises=F Damp=F
 DIIS: error= 2.64D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -459.107545690950     IErMin= 4 ErrMin= 2.64D-06
 ErrMax= 2.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.91D-09 BMatP= 2.72D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.283D-01 0.107D+00 0.141D+00 0.780D+00
 Coeff:     -0.283D-01 0.107D+00 0.141D+00 0.780D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=9.00D-07 MaxDP=4.93D-05 DE=-2.33D-07 OVMax= 4.42D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.69D-07    CP:  9.98D-01  1.12D+00  9.01D-01  1.09D+00
 E= -459.107545695324     Delta-E=       -0.000000004374 Rises=F Damp=F
 DIIS: error= 1.44D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -459.107545695324     IErMin= 5 ErrMin= 1.44D-06
 ErrMax= 1.44D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-09 BMatP= 4.91D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.734D-03-0.441D-01-0.733D-02 0.449D+00 0.602D+00
 Coeff:      0.734D-03-0.441D-01-0.733D-02 0.449D+00 0.602D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=3.52D-07 MaxDP=1.86D-05 DE=-4.37D-09 OVMax= 1.45D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.77D-07    CP:  9.98D-01  1.12D+00  9.15D-01  1.14D+00  1.01D+00
 E= -459.107545697307     Delta-E=       -0.000000001982 Rises=F Damp=F
 DIIS: error= 3.06D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -459.107545697307     IErMin= 6 ErrMin= 3.06D-07
 ErrMax= 3.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-10 BMatP= 2.32D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.388D-02-0.310D-01-0.194D-01 0.108D+00 0.229D+00 0.710D+00
 Coeff:      0.388D-02-0.310D-01-0.194D-01 0.108D+00 0.229D+00 0.710D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=1.36D-07 MaxDP=6.94D-06 DE=-1.98D-09 OVMax= 6.90D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.16D-07    CP:  9.98D-01  1.12D+00  9.19D-01  1.14D+00  1.03D+00
                    CP:  1.18D+00
 E= -459.107545697433     Delta-E=       -0.000000000127 Rises=F Damp=F
 DIIS: error= 1.92D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -459.107545697433     IErMin= 7 ErrMin= 1.92D-07
 ErrMax= 1.92D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-11 BMatP= 1.25D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D-02-0.151D-02-0.477D-02-0.437D-01-0.524D-01 0.266D+00
 Coeff-Com:  0.836D+00
 Coeff:      0.100D-02-0.151D-02-0.477D-02-0.437D-01-0.524D-01 0.266D+00
 Coeff:      0.836D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=6.62D-08 MaxDP=2.73D-06 DE=-1.27D-10 OVMax= 2.71D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.04D-08    CP:  9.98D-01  1.12D+00  9.18D-01  1.14D+00  1.07D+00
                    CP:  1.31D+00  1.09D+00
 E= -459.107545697476     Delta-E=       -0.000000000043 Rises=F Damp=F
 DIIS: error= 3.49D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -459.107545697476     IErMin= 8 ErrMin= 3.49D-08
 ErrMax= 3.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-12 BMatP= 2.40D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-03 0.265D-02 0.379D-03-0.214D-01-0.399D-01 0.149D-01
 Coeff-Com:  0.219D+00 0.825D+00
 Coeff:     -0.130D-03 0.265D-02 0.379D-03-0.214D-01-0.399D-01 0.149D-01
 Coeff:      0.219D+00 0.825D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=2.04D-08 MaxDP=6.10D-07 DE=-4.29D-11 OVMax= 8.76D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.43D-08    CP:  9.98D-01  1.12D+00  9.18D-01  1.14D+00  1.07D+00
                    CP:  1.34D+00  1.15D+00  1.11D+00
 E= -459.107545697487     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 1.63D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -459.107545697487     IErMin= 9 ErrMin= 1.63D-08
 ErrMax= 1.63D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.85D-13 BMatP= 1.37D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.161D-03 0.125D-02 0.679D-03-0.311D-02-0.106D-01-0.257D-01
 Coeff-Com: -0.182D-01 0.344D+00 0.712D+00
 Coeff:     -0.161D-03 0.125D-02 0.679D-03-0.311D-02-0.106D-01-0.257D-01
 Coeff:     -0.182D-01 0.344D+00 0.712D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=7.71D-09 MaxDP=3.88D-07 DE=-1.09D-11 OVMax= 2.40D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -459.107545697     A.U. after    9 cycles
            NFock=  9  Conv=0.77D-08     -V/T= 2.0051
 KE= 4.567820879642D+02 PE=-2.068987644455D+03 EE= 6.558078759671D+02
 Leave Link  502 at Wed Jul 28 19:19:04 2021, MaxMem=  5637144576 cpu:            1529.1 elap:             191.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    35 NBE=    35 NFC=     0 NFV=     0
 NROrb=    297 NOA=    35 NOB=    35 NVA=   262 NVB=   262

 **** Warning!!: The largest alpha MO coefficient is  0.77312159D+02

 Leave Link  801 at Wed Jul 28 19:19:05 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5887 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.53D-13 8.33D-09 XBig12= 1.00D+00 2.00D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.53D-13 8.33D-09 XBig12= 1.99D-01 4.62D-02.
     11 vectors produced by pass  2 Test12= 1.53D-13 8.33D-09 XBig12= 4.11D-02 3.63D-02.
     11 vectors produced by pass  3 Test12= 1.53D-13 8.33D-09 XBig12= 3.05D-03 1.06D-02.
     11 vectors produced by pass  4 Test12= 1.53D-13 8.33D-09 XBig12= 2.35D-04 2.57D-03.
     11 vectors produced by pass  5 Test12= 1.53D-13 8.33D-09 XBig12= 1.89D-05 5.19D-04.
     11 vectors produced by pass  6 Test12= 1.53D-13 8.33D-09 XBig12= 6.75D-07 7.57D-05.
     11 vectors produced by pass  7 Test12= 1.53D-13 8.33D-09 XBig12= 1.53D-08 1.22D-05.
     11 vectors produced by pass  8 Test12= 1.53D-13 8.33D-09 XBig12= 3.40D-10 1.62D-06.
     10 vectors produced by pass  9 Test12= 1.53D-13 8.33D-09 XBig12= 6.77D-12 2.29D-07.
      6 vectors produced by pass 10 Test12= 1.53D-13 8.33D-09 XBig12= 1.12D-13 3.22D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   115 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.942366D+02
      2 -0.432394D+01  0.823274D+02
      3 -0.185410D+01  0.769328D+00  0.744922D+02
 Isotropic polarizability for W=    0.085645       83.69 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.340832D+02  0.139058D+02  0.455831D+01
      2  -0.205641D+02 -0.697738D+01 -0.127250D+01
      3  -0.135191D+02 -0.692837D+01 -0.328580D+01
      4   0.284341D+01  0.493872D+02  0.887570D+00
      5   0.742816D+01  0.893797D+00  0.822232D+02
      6  -0.898421D-01  0.406232D+01 -0.275545D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.105928D+01 -0.148171D+01 -0.103838D+01
      2   0.375683D+01  0.109177D+01  0.354981D+02
      3  -0.141077D+02 -0.179263D+02 -0.239537D+00
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.622691D-02  0.533482D+01 -0.417292D+01
      2  -0.286985D+01  0.977413D+00  0.957423D+02
      3  -0.110623D+02 -0.699513D+02 -0.983640D+00
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.427673D+00 -0.260658D+00  0.188211D+01
      2  -0.260658D+00 -0.405053D+00 -0.116906D+01
      3   0.188211D+01 -0.116906D+01 -0.229663D+00
 OR G Eigenvalues:    -2.1564    -0.4044     2.3538  Iso=     0.0690
 Eigenvectors:
   (1)  -0.504059   0.426359   0.751094
   (2)   0.531843   0.838437  -0.119020
   (3)   0.680491  -0.339471   0.649378
 w=    0.085645 a.u., Optical Rotation Beta=      0.0690 au.
 Molar Mass =    130.1432 grams/mole, [Alpha] ( 5320.0 A) =       25.15 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 6.71D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.71D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.55D-14 2.78D-09 XBig12= 1.00D+00 3.53D-01.
     30 vectors produced by pass  1 Test12= 2.55D-14 2.78D-09 XBig12= 2.65D-02 2.44D-02.
     30 vectors produced by pass  2 Test12= 2.55D-14 2.78D-09 XBig12= 2.49D-03 8.50D-03.
     30 vectors produced by pass  3 Test12= 2.55D-14 2.78D-09 XBig12= 3.34D-05 9.45D-04.
     30 vectors produced by pass  4 Test12= 2.55D-14 2.78D-09 XBig12= 5.98D-07 9.56D-05.
     30 vectors produced by pass  5 Test12= 2.55D-14 2.78D-09 XBig12= 8.87D-09 8.72D-06.
     30 vectors produced by pass  6 Test12= 2.55D-14 2.78D-09 XBig12= 9.31D-11 8.38D-07.
     30 vectors produced by pass  7 Test12= 2.55D-14 2.78D-09 XBig12= 7.62D-13 8.03D-08.
      4 vectors produced by pass  8 Test12= 2.55D-14 2.78D-09 XBig12= 5.35D-15 6.90D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   244 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.02D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.02D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.93D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.942366D+02 -0.432394D+01 -0.185410D+01
      2  -0.432394D+01  0.823274D+02  0.769328D+00
      3  -0.185410D+01  0.769328D+00  0.744922D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.105928D+01 -0.148171D+01 -0.103838D+01
      2   0.375683D+01  0.109177D+01  0.354981D+02
      3  -0.141077D+02 -0.179263D+02 -0.239537D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.340832D+02  0.139058D+02  0.455831D+01
      2  -0.205641D+02 -0.697738D+01 -0.127250D+01
      3  -0.135191D+02 -0.692837D+01 -0.328580D+01
      4   0.284341D+01  0.493872D+02  0.887570D+00
      5   0.742816D+01  0.893797D+00  0.822232D+02
      6  -0.898421D-01  0.406232D+01 -0.275545D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.753680D+01 -0.233367D+01 -0.497770D+00 -0.183086D+01 -0.159535D+01
      2  -0.233367D+01  0.831273D+00  0.640084D-02 -0.159535D+01  0.559454D+00
      3  -0.497770D+00  0.640084D-02 -0.763769D-01  0.213248D+00  0.781843D-01
                 6             7             8             9            10 
      1   0.213248D+00 -0.158246D+01 -0.341982D-01  0.214206D+00 -0.318124D+01
      2   0.781843D-01 -0.341982D-01 -0.620529D+00 -0.198477D+00  0.226820D+01
      3  -0.711247D+00  0.214206D+00 -0.198477D+00 -0.802633D+00 -0.110001D+01
                11            12            13            14            15 
      1   0.226820D+01 -0.110001D+01  0.293406D+01  0.490445D+00 -0.173077D+00
      2  -0.510700D-01  0.386960D-01  0.490445D+00 -0.114765D+01 -0.541282D-02
      3   0.386960D-01 -0.790231D+00 -0.173077D+00 -0.541282D-02  0.206962D+01
                16            17            18            19            20 
      1  -0.616520D+00  0.714647D+00 -0.819287D+00  0.224871D+01 -0.179201D+01
      2   0.714647D+00 -0.804555D+00  0.960323D+00 -0.179201D+01  0.297177D+01
      3  -0.819287D+00  0.960323D+00  0.741827D+01  0.324700D+01  0.146261D+00
                21            22            23            24            25 
      1   0.324700D+01 -0.195370D+01  0.258589D+01 -0.148348D+00  0.366051D+01
      2   0.146261D+00  0.258589D+01  0.297594D+01  0.143233D+01 -0.182839D-01
      3  -0.555439D+00 -0.148348D+00  0.143233D+01 -0.183621D+01 -0.440336D+00
                26            27            28            29            30 
      1  -0.182839D-01 -0.440336D+00  0.193106D+01  0.587582D+00 -0.112593D+01
      2   0.108743D+01 -0.176073D+01  0.587582D+00 -0.277375D+01 -0.149692D+00
      3  -0.176073D+01 -0.634832D+01 -0.112593D+01 -0.149692D+00 -0.245985D+01
                31            32            33            34            35 
      1   0.301041D-01 -0.263022D+01  0.469412D+00 -0.934673D+00  0.215211D+00
      2  -0.263022D+01 -0.718348D+00 -0.132945D+01  0.215211D+00 -0.123362D+01
      3   0.469412D+00 -0.132945D+01  0.245415D+01 -0.171565D+01  0.381160D+01
                36            37            38            39            40 
      1  -0.171565D+01 -0.344800D+01 -0.244672D+01  0.284367D+00 -0.182366D+01
      2   0.381160D+01 -0.244672D+01 -0.835795D+00  0.314850D+00 -0.176626D+00
      3   0.386430D+01  0.284367D+00  0.314850D+00  0.682685D+00 -0.212496D+00
                41            42            43            44            45 
      1  -0.176626D+00 -0.212496D+00  0.600875D+00  0.233282D+00 -0.488680D+00
      2  -0.564938D+01  0.469338D+00  0.233282D+00  0.594066D+00 -0.159270D+01
      3   0.469338D+00 -0.891359D+00 -0.488680D+00 -0.159270D+01  0.656487D+00
                46            47            48            49            50 
      1  -0.173258D+02  0.254932D+01  0.918579D+00  0.202762D+01 -0.291103D+01
      2   0.254932D+01 -0.363440D+01 -0.108133D+00 -0.291103D+01  0.248935D+01
      3   0.918579D+00 -0.108133D+00 -0.182881D+01 -0.162037D+00  0.313099D+00
                51            52            53            54            55 
      1  -0.162037D+00  0.205898D+01 -0.223418D+00 -0.366445D+01  0.386144D+01
      2   0.313099D+00 -0.223418D+00  0.714658D+00  0.750923D+00 -0.252254D+00
      3   0.851500D+00 -0.366445D+01  0.750923D+00  0.122897D+01  0.733815D-01
                56            57            58            59            60 
      1  -0.252254D+00  0.733815D-01 -0.242728D+00 -0.157800D-02  0.413835D+00
      2   0.375575D+01  0.229316D+00 -0.157800D-02  0.595095D+01 -0.562459D+00
      3   0.229316D+00  0.117711D+01  0.413835D+00 -0.562459D+00 -0.475143D+00
                61            62            63            64            65 
      1  -0.744120D+00 -0.108756D-01  0.373801D+00  0.857612D+00 -0.371109D+00
      2  -0.108756D-01 -0.613704D-01  0.972569D+00 -0.371109D+00 -0.132145D+00
      3   0.373801D+00  0.972569D+00 -0.399412D+00 -0.106290D+01  0.619658D-01
                66            67            68            69            70 
      1  -0.106290D+01 -0.544338D+00 -0.202411D+00  0.320650D-01 -0.188015D+01
      2   0.619658D-01 -0.202411D+00  0.442095D+00 -0.123328D+01  0.425782D-01
      3   0.368270D+00  0.320650D-01 -0.123328D+01 -0.203916D+00  0.155731D+00
                71            72            73            74            75 
      1   0.425782D-01  0.155731D+00  0.176427D+01 -0.169625D+01  0.114161D+01
      2  -0.177705D+01  0.308834D+00 -0.169625D+01  0.240252D+01 -0.718721D+00
      3   0.308834D+00 -0.938803D+01  0.114161D+01 -0.718721D+00  0.111709D+01
                76            77            78            79            80 
      1  -0.155564D+01  0.192346D+01 -0.542301D+00  0.164627D+01 -0.100048D+01
      2   0.192346D+01 -0.538756D+01  0.183932D+01 -0.100048D+01  0.342903D+01
      3  -0.542301D+00  0.183932D+01 -0.181192D+01  0.123471D+01 -0.242975D+01
                81            82            83            84            85 
      1   0.123471D+01  0.725301D+00 -0.820217D+00 -0.129073D+01 -0.565008D+00
      2  -0.242975D+01 -0.820217D+00  0.848028D+00  0.516942D+00  0.983612D+00
      3   0.193033D+01 -0.129073D+01  0.516942D+00  0.104741D+01  0.245674D+00
                86            87            88            89            90 
      1   0.983612D+00  0.245674D+00 -0.226941D+01  0.508110D+00  0.144824D+01
      2  -0.250790D+01 -0.168423D+01  0.508110D+00 -0.308309D+01 -0.355902D+01
      3  -0.168423D+01 -0.187248D+01  0.144824D+01 -0.355902D+01 -0.636105D+01
                91            92            93            94            95 
      1  -0.473464D+01  0.212450D+01  0.419695D+00  0.160946D+01 -0.130071D+01
      2   0.212450D+01 -0.445305D+01 -0.280079D+00 -0.130071D+01  0.169796D+01
      3   0.419695D+00 -0.280079D+00 -0.128723D+01 -0.199521D+00  0.120191D+00
                96            97            98            99           100 
      1  -0.199521D+00  0.945155D+00 -0.338594D+00 -0.543113D+00 -0.131539D-01
      2   0.120191D+00 -0.338594D+00  0.872468D+00  0.720943D+00  0.257801D+01
      3   0.576192D+00 -0.543113D+00  0.720943D+00  0.452174D+00 -0.429389D+01
               101           102           103           104           105 
      1   0.257801D+01 -0.429389D+01  0.280845D+01 -0.255963D+01  0.402689D+00
      2  -0.201334D+01  0.390888D+00 -0.255963D+01 -0.421343D+01 -0.246345D+01
      3   0.390888D+00  0.131866D+01  0.402689D+00 -0.246345D+01  0.184273D+01
               106           107           108           109           110 
      1  -0.392359D+01  0.212632D+00  0.111207D+01 -0.148704D+01  0.243767D+01
      2   0.212632D+00 -0.126235D+01  0.163179D+01  0.243767D+01 -0.298659D+01
      3   0.111207D+01  0.163179D+01  0.339074D+01 -0.298986D+01  0.282556D+00
               111           112           113           114           115 
      1  -0.298986D+01  0.263899D+01 -0.355425D+01  0.270175D+00 -0.320214D+01
      2   0.282556D+00 -0.355425D+01 -0.419596D+01 -0.922127D+00  0.286323D+00
      3   0.130947D+01  0.270175D+00 -0.922127D+00  0.170834D+01  0.520440D+00
               116           117           118           119           120 
      1   0.286323D+00  0.520440D+00 -0.377829D+01 -0.796832D+00  0.227653D+01
      2  -0.101038D+01  0.152040D+01 -0.796832D+00 -0.919550D+00  0.235115D+00
      3   0.152040D+01  0.658352D+01  0.227653D+01  0.235115D+00 -0.377179D+01
               121           122           123           124           125 
      1  -0.965450D+00 -0.462166D+00  0.343273D+00  0.211740D+01  0.215832D+00
      2  -0.462166D+00 -0.110727D+00  0.964229D+00  0.215832D+00  0.871443D+00
      3   0.343273D+00  0.964229D+00 -0.119546D+01 -0.191070D+01 -0.575897D+00
               126           127           128           129           130 
      1  -0.191070D+01  0.807904D+00  0.843747D+00  0.829893D+00  0.162885D+01
      2  -0.575897D+00  0.843747D+00  0.118715D+01  0.354107D+00  0.166365D+01
      3   0.357138D+01  0.829893D+00  0.354107D+00  0.289012D+00  0.818825D+00
               131           132           133           134           135 
      1   0.166365D+01  0.818825D+00  0.585047D+00  0.275902D+00  0.243238D+00
      2   0.641023D+01  0.228703D+01  0.275902D+00  0.126928D+01  0.105057D+01
      3   0.228703D+01  0.259902D+01  0.243238D+00  0.105057D+01  0.843537D+00
               136           137           138           139           140 
      1   0.480002D+01 -0.169906D+01  0.282518D+01 -0.255940D+01  0.173424D+01
      2  -0.169906D+01  0.180601D+01 -0.869651D+00  0.173424D+01 -0.149099D+01
      3   0.282518D+01 -0.869651D+00  0.265904D+01 -0.132562D+01  0.140604D+01
               141           142           143           144           145 
      1  -0.132562D+01  0.192670D+01 -0.642305D+00  0.160195D+01 -0.150161D+00
      2   0.140604D+01 -0.642305D+00  0.869784D+00 -0.101417D+01 -0.355980D+00
      3  -0.220239D+01  0.160195D+01 -0.101417D+01  0.212467D+01 -0.554943D+00
               146           147           148           149           150 
      1  -0.355980D+00 -0.554943D+00 -0.725035D+00  0.488700D+00  0.170508D+00
      2   0.530252D-01 -0.487742D-01  0.488700D+00 -0.246695D-01 -0.952664D+00
      3  -0.487742D-01 -0.553047D+00  0.170508D+00 -0.952664D+00 -0.115707D+01
               151           152           153           154           155 
      1  -0.183899D+01 -0.619199D-01  0.136140D+01  0.744293D+01 -0.223517D+01
      2  -0.619199D-01 -0.125137D+01 -0.606080D+00 -0.223517D+01  0.204939D+01
      3   0.136140D+01 -0.606080D+00 -0.868195D+01  0.736712D+00 -0.313488D+00
               156           157           158           159           160 
      1   0.736712D+00 -0.401213D+01  0.238888D+01 -0.187553D+00  0.254878D+01
      2  -0.313488D+00  0.238888D+01 -0.168012D+01  0.387822D+00 -0.536497D+00
      3   0.109146D+01 -0.187553D+00  0.387822D+00 -0.113094D+01  0.939441D+00
               161           162           163           164           165 
      1  -0.536497D+00  0.939441D+00  0.214234D+01  0.141024D+01  0.163087D+00
      2   0.849965D+00 -0.661517D+00  0.141024D+01  0.189475D+01 -0.885586D-01
      3  -0.661517D+00  0.320389D+00  0.163087D+00 -0.885586D-01  0.262555D+00
               166           167           168           169           170 
      1   0.310042D+01  0.313511D+01 -0.428755D+00  0.902338D+00  0.162059D+00
      2   0.313511D+01  0.660076D+01 -0.144515D+00  0.162059D+00  0.546171D+00
      3  -0.428755D+00 -0.144515D+00  0.138659D+01  0.376991D+00  0.670401D+00
               171 
      1   0.376991D+00
      2   0.670401D+00
      3  -0.403384D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.127942D+01  0.423170D+01 -0.101382D+01  0.286864D+01  0.180965D+01
      2  -0.177525D+01 -0.277532D+01 -0.102484D+02 -0.227171D+01 -0.751290D+00
      3  -0.903885D+00  0.100062D+02  0.794373D+00 -0.300223D+00 -0.302036D+01
                 6             7             8             9            10 
      1   0.474298D+01  0.697279D+00  0.127419D+02 -0.184808D+01  0.444490D+00
      2   0.294146D+01 -0.135684D+02 -0.341952D+01  0.354399D+01 -0.357125D+01
      3  -0.155750D+01  0.279490D+01 -0.609677D+01  0.550934D+00  0.152657D+01
                11            12            13            14            15 
      1  -0.102731D+01 -0.282343D+01 -0.180803D+01 -0.374169D-02 -0.329251D+00
      2   0.206794D+01  0.138575D+01  0.397643D+01  0.284427D+00  0.365232D+01
      3  -0.334969D+01 -0.491847D+00  0.628873D+01 -0.762448D+00  0.110246D+01
                16            17            18            19            20 
      1  -0.125554D+01  0.170067D+01 -0.922434D+00 -0.646073D+00 -0.249349D+00
      2  -0.219117D+01  0.512264D+00 -0.465093D+01  0.805960D+01 -0.183236D+00
      3  -0.493886D+00  0.264900D+01 -0.173929D+01  0.254851D+01 -0.800821D+01
                21            22            23            24            25 
      1   0.748013D+00 -0.466007D+00  0.578299D+00 -0.591934D+01  0.411190D+00
      2   0.398888D+01 -0.702493D+00  0.186685D+01 -0.247740D+01 -0.462618D+01
      3  -0.370069D-01 -0.971752D-01 -0.568928D+01 -0.258054D+01  0.666631D+00
                26            27            28            29            30 
      1   0.222568D+01 -0.113554D+01  0.188708D+00  0.211488D+01 -0.445932D+01
      2  -0.234743D+01 -0.415534D+01 -0.185248D+01  0.554435D+00 -0.275000D+01
      3  -0.233164D+01  0.177602D+01 -0.970552D+01  0.125448D+01  0.722142D+00
                31            32            33            34            35 
      1   0.323140D+01 -0.363439D+01  0.576014D+01 -0.303708D+01  0.122625D+02
      2  -0.387774D+00 -0.250393D+01  0.203196D+01 -0.656201D+01  0.525940D+01
      3   0.382652D+01  0.534347D+01  0.160385D+01 -0.505192D-01  0.144995D+01
                36            37            38            39            40 
      1   0.645898D+01 -0.535586D+00 -0.170958D+01 -0.295809D+00  0.121030D+01
      2   0.285276D+01 -0.280686D+00  0.139146D+01  0.643747D+01  0.794682D+00
      3   0.126473D+01  0.863845D+01 -0.247755D+01 -0.959279D+00  0.120774D+02
                41            42            43            44            45 
      1   0.181150D+01 -0.698756D+01 -0.444601D+01 -0.179483D+01  0.186327D+01
      2  -0.401810D+00 -0.696999D+00 -0.336803D+01  0.385294D+01 -0.144669D+01
      3  -0.513266D+01 -0.817098D-01 -0.329009D+01  0.409549D+00 -0.563510D+00
                46            47            48            49            50 
      1   0.152161D+01 -0.113573D+01  0.149818D+01 -0.101696D+01 -0.356598D+00
      2  -0.314437D+01  0.108169D+00  0.144030D+02  0.112905D+01 -0.536434D+00
      3   0.852518D+01 -0.209665D+02 -0.432458D+00 -0.202742D+01  0.939642D+01
                51            52            53            54            55 
      1  -0.354003D+01 -0.174512D+01  0.632305D+00  0.590592D+00  0.125365D+01
      2  -0.233771D+01  0.474625D+01  0.888666D+00 -0.436543D+01 -0.321813D+00
      3   0.681544D+00 -0.524089D+00  0.466915D+01  0.268619D+01  0.132109D+02
                56            57            58            59            60 
      1  -0.129039D+01 -0.219107D+01  0.246131D-01 -0.267328D+01 -0.689709D+01
      2   0.982819D+00  0.103577D+01 -0.707768D+00 -0.620314D+00 -0.120962D+01
      3   0.156947D+00 -0.984006D+00  0.600360D+01  0.383605D+01  0.210327D+00
                61            62            63            64            65 
      1  -0.517674D+00  0.231826D+01 -0.193041D+01  0.180437D+00 -0.122367D+00
      2  -0.378099D+01  0.488376D+00 -0.710839D-01  0.226273D+01 -0.340227D+00
      3  -0.141666D+01  0.235399D-01  0.166166D+01  0.631936D+00 -0.100843D+01
                66            67            68            69            70 
      1   0.369418D+00 -0.426832D+00  0.528773D+00  0.400317D+00 -0.482797D+00
      2  -0.121329D+00 -0.110762D+01  0.429667D+00 -0.114966D+00 -0.496517D+01
      3  -0.468966D+00  0.332556D+00  0.973536D-01 -0.388618D+00 -0.873401D+00
                71            72            73            74            75 
      1   0.413922D+01  0.409103D+01  0.276984D+01 -0.167107D+01  0.306481D+01
      2   0.376736D+00  0.338193D+01  0.889074D+00 -0.784211D+00  0.216898D+01
      3  -0.779284D+00  0.688807D+00 -0.281496D+01 -0.221782D+00 -0.181303D+01
                76            77            78            79            80 
      1  -0.190503D+01  0.440026D+01 -0.565064D+01  0.302268D+01 -0.357422D+01
      2   0.237390D+00  0.182337D+01 -0.213404D+01 -0.732052D-01 -0.227774D+01
      3   0.446601D+01 -0.747659D+00 -0.113116D+00 -0.399621D+01 -0.116021D+01
                81            82            83            84            85 
      1   0.558862D+01 -0.241808D+01 -0.659480D-02  0.210622D+01 -0.247765D+00
      2   0.214701D+01  0.928748D-01 -0.155012D+00  0.774518D+00 -0.579596D+00
      3  -0.100689D+01 -0.148541D+01 -0.545171D+00  0.230153D+01  0.148636D+01
                86            87            88            89            90 
      1  -0.160539D+01 -0.437703D+01  0.331434D+01 -0.254504D+01 -0.115123D+02
      2  -0.730849D+00 -0.155296D+01 -0.238500D+01 -0.254994D+01 -0.448219D+01
      3  -0.112387D+01  0.371806D+00  0.566353D+01  0.114386D+01 -0.152305D+01
                91            92            93            94            95 
      1  -0.217740D+01  0.139658D+01  0.330081D+01  0.389456D+00 -0.920561D+00
      2  -0.222035D+00  0.471944D-01  0.220124D+01  0.835972D-01  0.168831D+00
      3  -0.136296D+02 -0.225847D+01  0.139751D+01  0.152312D+01 -0.295340D+01
                96            97            98            99           100 
      1  -0.146172D+01  0.711271D+00 -0.575852D+00 -0.127018D+01  0.598398D+01
      2  -0.769487D+00 -0.487424D+00 -0.896303D+00 -0.415082D+00 -0.594758D+01
      3  -0.161229D+00  0.231480D+01 -0.262448D+00 -0.303419D+00 -0.324802D+01
               101           102           103           104           105 
      1  -0.417406D+01 -0.284060D+00 -0.521359D+01 -0.873473D+01 -0.855700D+01
      2  -0.436201D+01  0.140088D+02 -0.448754D+01  0.134945D+01  0.168455D+01
      3   0.173100D+01 -0.215368D+01  0.667281D+01  0.516625D+01  0.316603D+01
               106           107           108           109           110 
      1   0.537729D+00 -0.226782D+01  0.313035D+01 -0.126712D+01  0.300264D+01
      2   0.681825D+01  0.161087D+01  0.115799D+01 -0.104747D+02  0.270415D+01
      3  -0.153899D+01  0.230772D+01 -0.184427D+01 -0.723629D+01  0.696837D+01
               111           112           113           114           115 
      1  -0.593534D+00  0.399952D+01  0.450085D+01 -0.161878D+01  0.189070D+00
      2   0.142391D+01  0.312070D+01 -0.560655D+01  0.452196D+01 -0.463066D+01
      3  -0.138911D+01  0.154343D+02  0.111433D+02  0.165041D+01 -0.197556D+01
               116           117           118           119           120 
      1   0.202247D+01 -0.350131D+01 -0.215426D+01 -0.308094D+01  0.876428D+00
      2   0.381158D+01  0.183908D+02  0.127181D+02  0.233265D+01 -0.611675D+01
      3   0.282213D+01 -0.403445D+01 -0.179893D+00 -0.811475D+00  0.308181D+00
               121           122           123           124           125 
      1  -0.120312D+01 -0.678547D+00  0.679720D+00  0.113054D+01  0.317432D+01
      2   0.293159D+01  0.194359D+01 -0.158118D+01 -0.820123D+01 -0.116165D+01
      3   0.120245D+01 -0.101593D+00 -0.869323D+00  0.226703D-02 -0.583541D-01
               126           127           128           129           130 
      1  -0.171235D+01  0.115099D+01  0.207885D+01  0.199986D+00  0.233167D+01
      2   0.668456D+01  0.248878D+00 -0.708967D+00  0.204496D+00 -0.248616D+01
      3   0.305258D-01 -0.554947D+00 -0.203211D+01 -0.358789D+00  0.106259D+01
               131           132           133           134           135 
      1   0.126052D+02  0.147202D+00  0.720600D+00  0.297709D+01  0.153314D+01
      2   0.582268D+00  0.286210D+01 -0.157150D+01  0.803978D+00  0.701732D+00
      3  -0.910617D+01 -0.259688D+01 -0.682367D-01 -0.166404D+01 -0.161505D+01
               136           137           138           139           140 
      1  -0.390347D+01  0.472396D+01 -0.115738D+01  0.314037D+01 -0.362824D+01
      2  -0.524839D+01  0.214841D+01  0.138092D+01  0.358890D+01 -0.114648D+01
      3   0.229679D+01 -0.467737D+01  0.157402D+01 -0.130050D+01  0.315952D+01
               141           142           143           144           145 
      1   0.110846D+01 -0.165279D+01  0.308223D+01 -0.196632D+01  0.528430D+00
      2  -0.151620D+01 -0.312784D+01 -0.494502D-01  0.543815D+00 -0.243331D+01
      3  -0.190055D+01  0.932451D+00 -0.187821D+01  0.174079D+01  0.884135D+00
               146           147           148           149           150 
      1   0.270049D+00  0.679109D-02 -0.226360D+00  0.626115D+00  0.129969D+00
      2  -0.419028D+00 -0.487380D+00 -0.889781D+00 -0.160981D+01 -0.276733D+01
      3  -0.874653D+00 -0.592627D-01 -0.222258D+00  0.251535D+00  0.201044D+01
               151           152           153           154           155 
      1  -0.295626D-01  0.435553D+01  0.264086D+01  0.180648D+01 -0.150138D+01
      2  -0.242817D+01 -0.191313D+01 -0.207757D+02  0.802434D+01 -0.309526D+01
      3   0.129474D+00  0.334032D+01  0.182878D+01  0.664116D+01 -0.821851D+01
               156           157           158           159           160 
      1   0.100370D+01 -0.155284D+01  0.995655D+00 -0.167922D+01  0.281640D+00
      2   0.589049D+01 -0.360363D+01  0.310578D+01 -0.459602D+01  0.286682D+01
      3   0.118637D+01 -0.499564D+01  0.584991D+01 -0.136465D+01  0.143142D+01
               161           162           163           164           165 
      1   0.217666D+00  0.866906D+00 -0.144720D+01 -0.184989D+01 -0.355924D+00
      2  -0.223413D+01  0.234224D+01  0.204833D+01  0.871085D+00  0.166550D+01
      3  -0.305235D+01  0.190254D+01 -0.298411D+01 -0.582944D+01  0.478323D+00
               166           167           168           169           170 
      1  -0.220152D+01 -0.600590D+01 -0.319695D+01 -0.106932D-01  0.701749D-01
      2   0.136175D+01  0.235324D+01  0.405955D+01  0.417339D+00  0.140670D+01
      3  -0.431491D+01 -0.177686D+02 -0.109693D+00  0.292174D+00 -0.153190D+01
               171 
      1  -0.579816D+00
      2  -0.457407D+00
      3  -0.150104D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.511938D+02 -0.807139D+00  0.115369D+01  0.139324D+02  0.107877D+02
      2   0.291008D+02  0.487765D+01 -0.416616D+01 -0.938826D+01 -0.131819D+02
      3   0.220930D+02 -0.407051D+01  0.301247D+01 -0.454415D+01  0.239423D+01
      4   0.100098D+02 -0.142770D+02  0.317833D+00  0.768380D+00  0.743222D+01
      5   0.279130D+01  0.103305D+01 -0.146412D+02 -0.111130D+01  0.205065D+00
      6  -0.157312D+00 -0.715464D+00  0.441516D+01 -0.117456D+00 -0.501038D+00
                 6             7             8             9            10 
      1  -0.245310D+01  0.973649D+01 -0.188581D+01 -0.616060D+01 -0.122240D+01
      2   0.599358D+00 -0.693548D+01 -0.335517D-01 -0.412684D+01  0.532559D+01
      3   0.185374D+01 -0.280102D+01  0.191936D+01  0.102874D+02 -0.410319D+01
      4   0.490343D+00 -0.790810D+00  0.370286D+01  0.105163D+01 -0.180076D+01
      5   0.923181D+01  0.489073D+01 -0.343066D+00  0.658297D+01 -0.196164D+01
      6  -0.530608D+01  0.813169D+00  0.242839D+01  0.117037D+01 -0.147711D+00
                11            12            13            14            15 
      1  -0.176916D+01 -0.739304D+00  0.742091D+01  0.187277D+00  0.170808D+01
      2   0.370710D+01 -0.207679D+00 -0.376243D+01 -0.512688D+01  0.665149D+01
      3  -0.193795D+01  0.946983D+00 -0.365848D+01  0.493961D+01 -0.835957D+01
      4   0.359304D+00 -0.152077D+00 -0.430657D+01  0.848201D+00 -0.173156D+01
      5  -0.187979D+01  0.770443D+00 -0.232221D+01 -0.339903D+00  0.435920D+01
      6  -0.152316D+01  0.251762D+01 -0.137210D+01  0.132233D+01 -0.338515D+01
                16            17            18            19            20 
      1  -0.735683D+01  0.384523D+00  0.137605D+02 -0.211879D+01 -0.262587D+01
      2   0.218935D+01 -0.328433D+01  0.162144D+02 -0.414969D+01 -0.191774D+01
      3   0.516748D+01  0.289980D+01 -0.299749D+02  0.626849D+01  0.454361D+01
      4  -0.174080D+01 -0.102812D+01 -0.362702D+01 -0.413554D+01  0.502446D+01
      5   0.270812D+00 -0.163737D+01 -0.139275D+01  0.137895D+02  0.147216D+01
      6  -0.332090D+01  0.159395D+01  0.655543D+01  0.206080D+00  0.284705D+01
                21            22            23            24            25 
      1   0.927115D+01 -0.839941D+01  0.101213D+02  0.125906D+01  0.138029D+02
      2  -0.409281D+01  0.505302D+01 -0.887968D+01 -0.147403D+00 -0.559830D+01
      3  -0.517834D+01  0.334639D+01 -0.124167D+01 -0.111165D+01 -0.820458D+01
      4   0.137515D+00  0.930106D+01  0.678996D+01  0.188508D+01  0.261531D+00
      5  -0.191310D+01  0.864432D+00  0.172594D+01 -0.475844D+01 -0.214433D+01
      6  -0.264791D+01  0.178302D+01 -0.292746D+01  0.436821D+01 -0.283862D+01
                26            27            28            29            30 
      1   0.211049D+00 -0.566798D+01 -0.672697D+00 -0.809123D+01 -0.324468D+01
      2   0.627309D+00  0.426288D+01  0.593422D+00  0.128773D+02 -0.117961D+01
      3  -0.838358D+00  0.140510D+01  0.792751D-01 -0.478603D+01  0.442429D+01
      4   0.146942D+01 -0.531025D+01 -0.251799D+01 -0.144403D+02  0.236718D+01
      5  -0.466610D+01 -0.123863D+02 -0.414074D+01  0.100357D+01 -0.706689D+01
      6   0.323381D+01 -0.126039D+01  0.647748D+00 -0.964523D+00  0.997647D+01
                31            32            33            34            35 
      1  -0.458666D+01 -0.193156D+01  0.484020D+00 -0.299736D+01  0.156636D+01
      2   0.766033D+01  0.204449D+01  0.663896D+01 -0.207544D+01  0.741130D+01
      3  -0.307366D+01 -0.112926D+00 -0.712298D+01  0.507280D+01 -0.897765D+01
      4  -0.681667D+01  0.578235D+01 -0.294778D+01  0.244747D+01 -0.247055D+01
      5   0.461877D+00 -0.169933D+01  0.387518D+01 -0.467883D+01  0.864207D+01
      6  -0.316417D+01  0.825942D+01 -0.123814D+02  0.952536D+01 -0.177303D+02
                36            37            38            39            40 
      1   0.120062D+02  0.596094D+01  0.438137D+01  0.112837D+01 -0.324668D+01
      2  -0.990966D+01  0.119322D+01 -0.197334D+01  0.930345D+00  0.384919D+01
      3  -0.209657D+01 -0.715416D+01 -0.240803D+01 -0.205871D+01 -0.602512D+00
      4   0.115312D+02  0.974589D+01  0.193927D+02 -0.880027D+00  0.108855D+02
      5   0.749479D+01  0.129938D+01  0.432179D+00  0.939463D+01  0.703070D+00
      6  -0.130207D+02  0.897707D+00 -0.136279D+01 -0.144175D+01  0.446867D+00
                41            42            43            44            45 
      1  -0.178089D+02  0.148370D+01 -0.128917D+00  0.623555D+00 -0.501413D+01
      2   0.283136D+02 -0.748102D+00  0.315397D+00 -0.169343D+00  0.340043D+01
      3  -0.105047D+02 -0.735601D+00 -0.186480D+00 -0.454212D+00  0.161370D+01
      4   0.896991D+01 -0.852682D+00 -0.867384D+00 -0.150217D+01  0.568776D+01
      5   0.108529D+01 -0.270469D+01  0.332554D+01  0.426639D+01 -0.190737D+01
      6  -0.262117D+00  0.107396D+02  0.162979D+01  0.939823D+01 -0.210892D+01
                46            47            48            49            50 
      1   0.100245D+03 -0.894265D+01 -0.365030D+01 -0.115916D+02  0.754870D+01
      2  -0.573314D+02  0.456016D+01  0.318985D+01  0.688894D+01  0.372515D+00
      3  -0.429131D+02  0.438249D+01  0.460448D+00  0.470265D+01 -0.792121D+01
      4  -0.768634D+01  0.239599D+02  0.271594D+00  0.209096D+02 -0.890070D+01
      5  -0.237472D+01 -0.137838D+00  0.237740D+02  0.113858D+01 -0.108568D+01
      6   0.139085D+00  0.749220D+00 -0.256008D+01 -0.804199D+00 -0.341743D+00
                51            52            53            54            55 
      1   0.928814D+00 -0.867679D+01  0.140120D+01  0.131163D+02 -0.111726D+01
      2  -0.441977D+00  0.632782D+01 -0.182673D-01 -0.116918D+02 -0.887897D+00
      3  -0.486836D+00  0.234897D+01 -0.138293D+01 -0.142452D+01  0.200516D+01
      4  -0.212506D+01  0.153477D+01 -0.358034D+01 -0.112674D+01  0.151443D+02
      5  -0.538408D+01  0.242790D+02 -0.349914D+01 -0.758579D+01  0.490165D+00
      6   0.523019D+01 -0.243559D+00  0.448523D+01  0.434515D-02 -0.165018D+01
                56            57            58            59            60 
      1  -0.418299D+01  0.811330D+00 -0.269224D+01 -0.237143D+02 -0.148479D+01
      2   0.849873D+01  0.890172D+00  0.210486D+01  0.373334D+02 -0.517806D+01
      3  -0.431575D+01 -0.170150D+01  0.587384D+00 -0.136191D+02  0.666285D+01
      4  -0.481922D+01 -0.172155D+01  0.480820D+01 -0.293961D+01  0.176187D+01
      5  -0.992439D+00  0.285548D+01  0.667038D+00  0.339258D+00 -0.261388D+01
      6   0.419713D+00  0.200831D+01  0.162348D+01 -0.295969D+01  0.111060D+02
                61            62            63            64            65 
      1   0.304211D+00 -0.473624D+00 -0.663038D+01 -0.184690D+00  0.983155D+00
      2   0.615592D+00  0.272910D+01  0.591112D+00 -0.422307D+01 -0.403397D+00
      3  -0.919803D+00 -0.225548D+01  0.603927D+01  0.440776D+01 -0.579758D+00
      4  -0.147219D+01  0.168228D+01  0.460552D+00  0.112963D+01  0.206520D+01
      5   0.288038D+01 -0.103305D+01  0.479674D-01  0.309927D+00 -0.258624D+00
      6   0.844886D+00  0.858649D+01  0.132912D+00 -0.135146D+01  0.147491D+00
                66            67            68            69            70 
      1   0.521104D+00 -0.348774D-02 -0.377267D+01  0.645136D+00  0.143330D+01
      2   0.126104D+00  0.466434D+00  0.570980D+00 -0.308126D+01  0.581306D+00
      3  -0.647208D+00 -0.462947D+00  0.320169D+01  0.243612D+01 -0.201461D+01
      4  -0.148171D+01  0.180920D+01  0.359137D-01  0.538221D+00 -0.154426D+01
      5   0.673332D+01  0.413011D+00  0.323157D+00 -0.431890D-01  0.604779D+01
      6  -0.104283D+00  0.101952D+00 -0.157688D+01  0.663277D+01  0.762297D+00
                71            72            73            74            75 
      1   0.309235D+01 -0.208042D+02  0.104022D+01  0.289981D+01 -0.372675D+00
      2  -0.295087D+01 -0.206284D+02  0.416858D+01 -0.919045D+01  0.186667D+01
      3  -0.141480D+00  0.414325D+02 -0.520879D+01  0.629063D+01 -0.149400D+01
      4   0.160308D+01  0.169613D+01 -0.949247D+01  0.132467D+02 -0.553621D+01
      5   0.260488D+00  0.402642D+01  0.341746D+01 -0.308416D+01  0.405867D+01
      6   0.630133D+01 -0.109205D+02 -0.565373D+01  0.440130D+01 -0.496183D+01
                76            77            78            79            80 
      1   0.357554D+01 -0.145962D+02  0.485188D+01 -0.278620D+00  0.869812D+01
      2  -0.792932D+01  0.273499D+02 -0.878076D+01  0.232593D+01 -0.149554D+02
      3   0.435378D+01 -0.127537D+02  0.392888D+01 -0.204732D+01  0.625728D+01
      4   0.981762D+01 -0.138698D+02  0.480840D+01 -0.766069D+01  0.859119D+01
      5  -0.233039D+01  0.354709D+01 -0.353841D+01  0.449760D+01 -0.496714D+01
      6   0.333172D+01 -0.118969D+02  0.102987D+02 -0.584329D+01  0.141839D+02
                81            82            83            84            85 
      1  -0.769732D+01 -0.621176D+00  0.124656D+01  0.111635D+00  0.229108D+01
      2   0.700543D+01  0.967862D-01 -0.267244D+01  0.378856D+00 -0.347333D+01
      3   0.691886D+00  0.524390D+00  0.142588D+01 -0.490491D+00  0.118225D+01
      4  -0.683624D+01 -0.351918D+01  0.680736D+01  0.496296D+01  0.479566D+01
      5   0.426892D+01 -0.318701D+01  0.290147D+01  0.645418D+01  0.156301D+01
      6  -0.102941D+02  0.546201D+01 -0.233855D+01 -0.433800D+01 -0.187399D+01
                86            87            88            89            90 
      1  -0.927373D+01 -0.662094D+01  0.127623D+01 -0.116729D+02 -0.167849D+02
      2   0.109517D+02  0.580242D+01  0.114505D+01  0.910184D+01  0.302779D+01
      3  -0.167797D+01  0.818526D+00 -0.242128D+01  0.257107D+01  0.137571D+02
      4  -0.551280D+01 -0.233522D+01  0.647132D+01 -0.570695D+01 -0.734219D+01
      5  -0.271928D+01 -0.291464D+01  0.762255D+01 -0.597886D+01 -0.101074D+02
      6   0.100442D+02  0.122391D+02 -0.642979D+01  0.190920D+02  0.262413D+02
                91            92            93            94            95 
      1   0.672434D+01  0.370436D+01 -0.863048D+00 -0.102492D+01 -0.938606D+00
      2   0.285025D+01 -0.121803D+02 -0.803688D+00 -0.317062D+01  0.640358D+01
      3  -0.957459D+01  0.847590D+01  0.166674D+01  0.419554D+01 -0.546497D+01
      4  -0.215536D+02  0.178183D+02  0.243214D+01  0.835490D+01 -0.702600D+01
      5  -0.557678D+00  0.501951D+00  0.251606D+01  0.186126D+00 -0.439800D+00
      6   0.196725D+01 -0.302342D+00 -0.467268D+01 -0.706978D+00  0.391598D+00
                96            97            98            99           100 
      1   0.117462D+00 -0.251288D+00 -0.117648D+01 -0.955909D+00  0.482877D+01
      2   0.206832D+00 -0.904196D+00  0.218697D+01  0.401752D+00  0.809732D+01
      3  -0.324294D+00  0.115548D+01 -0.101049D+01  0.554157D+00 -0.129261D+02
      4  -0.843656D+00  0.330582D+01 -0.247175D+01 -0.307278D+01  0.824344D+01
      5  -0.992616D+00  0.309526D+01 -0.220896D+01 -0.744532D+00 -0.103215D+02
      6   0.236853D+01 -0.256272D+01  0.380075D+01  0.181726D+01  0.902695D+01
               101           102           103           104           105 
      1   0.852734D+01 -0.145287D+02  0.110238D+02 -0.170944D+01  0.166464D+01
      2  -0.607180D+01  0.307291D+01 -0.915107D+01  0.980526D-01 -0.742099D+01
      3  -0.245554D+01  0.114558D+02 -0.187277D+01  0.161139D+01  0.575635D+01
      4  -0.524303D+01  0.305196D+01 -0.818786D+01 -0.111627D+02 -0.768307D+01
      5   0.920678D+01 -0.111983D+02  0.990409D+01 -0.122065D+02  0.576208D+01
      6  -0.721040D+01  0.196640D+01 -0.957496D+01 -0.124764D+02 -0.685241D+01
               106           107           108           109           110 
      1  -0.131474D+02 -0.222291D-01 -0.357500D+01 -0.114959D+02  0.157294D+02
      2   0.254301D+01 -0.604518D+01 -0.638011D+01  0.829687D+00 -0.901141D+01
      3   0.106044D+02  0.606741D+01  0.995511D+01  0.106662D+02 -0.671795D+01
      4   0.195634D+01 -0.460084D+01  0.524160D+01  0.157198D+02 -0.157605D+02
      5  -0.105385D+02  0.487556D+01  0.115935D+02 -0.165067D+02 -0.689562D+00
      6   0.211206D+01 -0.524450D+01  0.696149D+01 -0.384053D+01  0.308859D+01
               111           112           113           114           115 
      1  -0.145805D+02  0.199971D+02 -0.149916D+02  0.437347D+01 -0.185773D+02
      2   0.868253D+01 -0.139717D+02  0.557986D+00  0.224574D+00  0.779890D+01
      3   0.589800D+01 -0.602531D+01  0.144337D+02 -0.459804D+01  0.107784D+02
      4   0.127879D+01 -0.219352D+02 -0.218519D+02 -0.378641D+01  0.260703D+01
      5   0.768717D+01 -0.275003D+00 -0.237980D+01  0.652072D+01  0.601120D+01
      6   0.317510D+00  0.445076D+01  0.481474D+01  0.170347D+01  0.910584D+00
               116           117           118           119           120 
      1   0.511556D+01  0.142580D+02 -0.721283D+01 -0.224001D+01  0.132344D+02
      2  -0.106155D+01  0.643512D+01 -0.273007D+01  0.516728D+00  0.545847D+01
      3  -0.405401D+01 -0.206931D+02  0.994290D+01  0.172328D+01 -0.186928D+02
      4  -0.578518D+01  0.772222D+01 -0.135446D+01  0.905432D+00  0.293545D+00
      5   0.647635D+01  0.230372D+02 -0.104679D+02 -0.248031D+01  0.613196D+01
      6   0.164656D+01 -0.237465D+01 -0.279106D+01 -0.430844D+01  0.150568D+01
               121           122           123           124           125 
      1  -0.313161D+01 -0.307842D+01  0.314934D+01  0.904284D+01  0.186932D+01
      2   0.127447D+01  0.583933D+00  0.190347D+01  0.257330D+01  0.131012D+01
      3   0.185715D+01  0.249448D+01 -0.505281D+01 -0.116161D+02 -0.317944D+01
      4   0.215227D+01  0.104326D+01  0.875446D+00  0.580346D+00  0.605732D+00
      5  -0.300395D+01 -0.142525D+00 -0.573276D+00  0.830414D+01  0.348542D+00
      6  -0.215995D+01 -0.116209D+01  0.571544D+01  0.128414D+01  0.512053D+01
               126           127           128           129           130 
      1  -0.137159D+02  0.158582D+01  0.119558D+01  0.176171D+01  0.256757D+01
      2  -0.755755D+01 -0.963727D+00  0.696072D+00 -0.968970D+00 -0.166167D+00
      3   0.212734D+02 -0.622092D+00 -0.189165D+01 -0.792740D+00 -0.240140D+01
      4  -0.930398D+00  0.398225D+01  0.742471D+01  0.184510D+01  0.955548D+01
      5  -0.456525D+01  0.438808D+01  0.322499D+01  0.513250D+01  0.658104D+01
      6  -0.236013D+01  0.239616D+01  0.448935D+01  0.181628D+01  0.640598D+01
               131           132           133           134           135 
      1  -0.828945D+01 -0.648917D+01  0.843534D+00 -0.386942D+01 -0.400066D+01
      2   0.125118D+02 -0.601906D+00 -0.100362D+01  0.195117D+00  0.137997D+00
      3  -0.422235D+01  0.709108D+01  0.160089D+00  0.367430D+01  0.386266D+01
      4   0.187731D+02  0.699146D+01  0.816452D+00  0.352042D+01  0.291505D+01
      5   0.932614D+01  0.812940D+01  0.397691D+01  0.341127D+01  0.244722D+01
      6   0.233959D+02  0.127908D+02  0.165156D+01  0.941254D+01  0.561590D+01
               136           137           138           139           140 
      1   0.183301D+02 -0.497190D+01  0.488240D+01 -0.773249D+01  0.182283D+01
      2  -0.162463D+02  0.385920D+01 -0.108225D+02  0.617229D+01 -0.916327D+00
      3  -0.208379D+01  0.111270D+01  0.594011D+01  0.156020D+01 -0.906505D+00
      4  -0.778816D+01  0.826293D+01 -0.381258D+01  0.852087D+01 -0.715192D+01
      5   0.238740D+02 -0.820427D+01  0.193758D+02 -0.121655D+02  0.888810D+01
      6  -0.698096D+01  0.766437D+01 -0.467943D+01  0.732143D+01 -0.672501D+01
               141           142           143           144           145 
      1   0.397437D+00  0.387281D+01  0.349988D+00  0.186602D-01  0.371791D+00
      2   0.589384D+01 -0.767183D+01  0.330647D+01 -0.888444D+01 -0.202106D+01
      3  -0.629127D+01  0.379902D+01 -0.365645D+01  0.886578D+01  0.164926D+01
      4   0.540720D+01 -0.233019D+01  0.324010D+01 -0.389196D+01 -0.183898D+01
      5  -0.105368D+02  0.141991D+02 -0.566762D+01  0.131262D+02 -0.148015D+01
      6   0.726235D+01 -0.371220D+01  0.524151D+01 -0.538426D+01  0.659862D+00
               146           147           148           149           150 
      1  -0.220376D+01 -0.430155D+01 -0.383388D+01 -0.614491D+00 -0.198459D+01
      2   0.121891D+01  0.125230D+01  0.268003D+01 -0.386462D+00 -0.156016D+01
      3   0.984850D+00  0.304925D+01  0.115386D+01  0.100095D+01  0.354475D+01
      4   0.177656D+01 -0.134797D+00  0.396395D+01  0.234401D+00 -0.387717D+01
      5   0.565041D+00  0.403026D+01  0.192411D+01 -0.356210D+01 -0.480586D+01
      6   0.478604D+00  0.180078D+00 -0.965879D+00  0.132183D+01  0.575830D+01
               151           152           153           154           155 
      1  -0.727529D+01 -0.163381D+01 -0.145425D+02  0.503107D+02 -0.146255D+02
      2   0.703081D+01 -0.785363D+00 -0.181505D+02 -0.235368D+02  0.594086D+01
      3   0.244483D+00  0.241917D+01  0.326930D+02 -0.267739D+02  0.868463D+01
      4  -0.634534D+00 -0.571178D+01 -0.345804D+01 -0.159465D+02  0.149914D+02
      5   0.124976D+02 -0.266428D+01 -0.372897D+02 -0.329862D+00 -0.274281D+00
      6   0.153990D+00  0.648936D+01  0.309674D+00  0.257351D+01 -0.266576D+01
               156           157           158           159           160 
      1   0.577250D+01 -0.238749D+02  0.113099D+02 -0.215592D+01  0.150776D+02
      2  -0.189957D+01  0.102839D+02 -0.132705D+01 -0.373813D+00 -0.672774D+01
      3  -0.387293D+01  0.135910D+02 -0.998282D+01  0.252973D+01 -0.834987D+01
      4  -0.199502D+01  0.177467D+02 -0.120995D+02  0.244129D+01 -0.435423D+01
      5   0.792134D+01  0.918712D+00  0.906681D+00 -0.669653D+01  0.685420D+01
      6  -0.156907D+00 -0.240461D+01  0.104147D+01  0.142416D+01 -0.566787D+00
               161           162           163           164           165 
      1  -0.333074D+01  0.394103D+01  0.120911D+02  0.602738D+01  0.116037D+01
      2   0.654023D+00 -0.376932D+01 -0.299001D+01 -0.449192D+00 -0.471147D+00
      3   0.267671D+01 -0.171708D+00 -0.910113D+01 -0.557819D+01 -0.689224D+00
      4   0.551509D+01 -0.409721D+01  0.933485D+01  0.148327D+02 -0.475329D+00
      5  -0.382399D+01  0.312589D+01 -0.886083D+00 -0.157058D+01  0.247585D+01
      6   0.787226D+00 -0.415603D+00 -0.140341D+01 -0.289426D+01  0.859363D+00
               166           167           168           169           170 
      1   0.121921D+02  0.405682D+01 -0.387412D+00  0.453598D+01  0.240100D+00
      2  -0.118575D+01  0.124963D+02  0.143927D+01 -0.129380D+01  0.126872D+01
      3  -0.110063D+02 -0.165531D+02 -0.105185D+01 -0.324218D+01 -0.150882D+01
      4   0.220935D+02  0.362818D+02 -0.870808D+00  0.141400D+01  0.292749D+01
      5  -0.411670D+01 -0.177185D+01  0.768404D+01  0.284543D+01  0.388497D+01
      6  -0.417502D+01 -0.899274D+01  0.477961D+01  0.150610D+01  0.350039D+01
               171 
      1  -0.121280D+01
      2  -0.397253D-01
      3   0.125253D+01
      4   0.338667D+01
      5  -0.162598D+01
      6   0.998653D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Jul 28 20:09:32 2021, MaxMem=  5637144576 cpu:           23946.3 elap:            3027.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.97664 -18.93271 -18.91938 -10.16936 -10.10653
 Alpha  occ. eigenvalues --  -10.10631 -10.07469 -10.04020 -10.03342  -1.20136
 Alpha  occ. eigenvalues --   -1.12889  -1.11415  -0.93635  -0.83090  -0.81003
 Alpha  occ. eigenvalues --   -0.80033  -0.69128  -0.67276  -0.63516  -0.61840
 Alpha  occ. eigenvalues --   -0.58130  -0.57124  -0.55201  -0.53052  -0.52792
 Alpha  occ. eigenvalues --   -0.51256  -0.48712  -0.48331  -0.46785  -0.44966
 Alpha  occ. eigenvalues --   -0.44268  -0.43132  -0.40106  -0.38152  -0.37007
 Alpha virt. eigenvalues --    0.02465   0.03772   0.03950   0.04415   0.05755
 Alpha virt. eigenvalues --    0.05886   0.06253   0.06520   0.06786   0.07572
 Alpha virt. eigenvalues --    0.08738   0.09793   0.10921   0.11554   0.12551
 Alpha virt. eigenvalues --    0.12891   0.12943   0.13464   0.13600   0.14131
 Alpha virt. eigenvalues --    0.14368   0.15350   0.16005   0.16537   0.17018
 Alpha virt. eigenvalues --    0.17265   0.17633   0.18542   0.18953   0.19568
 Alpha virt. eigenvalues --    0.19833   0.20321   0.20379   0.21176   0.22460
 Alpha virt. eigenvalues --    0.23097   0.24272   0.25071   0.26131   0.26381
 Alpha virt. eigenvalues --    0.27371   0.28265   0.29029   0.29330   0.30403
 Alpha virt. eigenvalues --    0.30836   0.31464   0.32100   0.32472   0.32852
 Alpha virt. eigenvalues --    0.33607   0.33801   0.34254   0.35028   0.35149
 Alpha virt. eigenvalues --    0.35850   0.36877   0.37378   0.38269   0.39273
 Alpha virt. eigenvalues --    0.39808   0.40673   0.41405   0.41758   0.42092
 Alpha virt. eigenvalues --    0.43162   0.43876   0.44673   0.45366   0.45616
 Alpha virt. eigenvalues --    0.46380   0.46455   0.47252   0.48718   0.49326
 Alpha virt. eigenvalues --    0.50194   0.50768   0.51557   0.53567   0.54192
 Alpha virt. eigenvalues --    0.54521   0.56094   0.56821   0.57457   0.58318
 Alpha virt. eigenvalues --    0.58723   0.59383   0.59675   0.60253   0.60972
 Alpha virt. eigenvalues --    0.61591   0.63410   0.63997   0.64966   0.66420
 Alpha virt. eigenvalues --    0.66979   0.67256   0.68084   0.69187   0.69787
 Alpha virt. eigenvalues --    0.70974   0.71725   0.72131   0.72533   0.73857
 Alpha virt. eigenvalues --    0.75140   0.75534   0.76537   0.77297   0.77573
 Alpha virt. eigenvalues --    0.78082   0.79841   0.79992   0.81038   0.82640
 Alpha virt. eigenvalues --    0.83051   0.83856   0.84095   0.84851   0.86359
 Alpha virt. eigenvalues --    0.87696   0.89673   0.90379   0.91653   0.92779
 Alpha virt. eigenvalues --    0.92835   0.94912   0.95864   0.96834   0.98810
 Alpha virt. eigenvalues --    0.99271   0.99950   1.01851   1.05234   1.06961
 Alpha virt. eigenvalues --    1.08682   1.10226   1.11090   1.12547   1.13233
 Alpha virt. eigenvalues --    1.14821   1.17385   1.18807   1.20957   1.21756
 Alpha virt. eigenvalues --    1.22216   1.22866   1.26083   1.27226   1.27995
 Alpha virt. eigenvalues --    1.29956   1.31378   1.32196   1.34029   1.34794
 Alpha virt. eigenvalues --    1.38066   1.40429   1.42748   1.45367   1.45801
 Alpha virt. eigenvalues --    1.47859   1.49160   1.52087   1.53426   1.55577
 Alpha virt. eigenvalues --    1.56919   1.58069   1.58895   1.61381   1.63015
 Alpha virt. eigenvalues --    1.63961   1.65740   1.66992   1.69051   1.69911
 Alpha virt. eigenvalues --    1.70774   1.73920   1.74561   1.76008   1.78716
 Alpha virt. eigenvalues --    1.79391   1.80060   1.81391   1.82059   1.83426
 Alpha virt. eigenvalues --    1.84476   1.86023   1.88291   1.89024   1.91134
 Alpha virt. eigenvalues --    1.93342   1.94426   1.97079   2.00130   2.00510
 Alpha virt. eigenvalues --    2.01835   2.04826   2.07468   2.08674   2.09931
 Alpha virt. eigenvalues --    2.10971   2.12220   2.13297   2.14946   2.18947
 Alpha virt. eigenvalues --    2.20740   2.21848   2.23227   2.24665   2.27149
 Alpha virt. eigenvalues --    2.28414   2.32283   2.33708   2.35676   2.36499
 Alpha virt. eigenvalues --    2.38414   2.39660   2.41607   2.43115   2.44784
 Alpha virt. eigenvalues --    2.46357   2.48238   2.49428   2.52732   2.55812
 Alpha virt. eigenvalues --    2.59298   2.60043   2.63042   2.64519   2.67014
 Alpha virt. eigenvalues --    2.69491   2.70251   2.73334   2.76180   2.81138
 Alpha virt. eigenvalues --    2.83586   2.89072   2.92756   2.95515   3.04235
 Alpha virt. eigenvalues --    3.09334   3.10412   3.19506   3.25275   3.35527
 Alpha virt. eigenvalues --    3.41345   3.42014   3.46858   3.47794   3.50361
 Alpha virt. eigenvalues --    3.52151   3.53724   3.55929   3.58110   3.61091
 Alpha virt. eigenvalues --    3.68010   3.71699   3.76666   3.83740   3.98741
 Alpha virt. eigenvalues --    4.02469   4.16519
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.858762  -1.091111   0.231440  -0.273000  -0.112165   0.120700
     2  C   -1.091111   7.692710  -1.814958   0.117818   0.128805   0.004742
     3  C    0.231440  -1.814958  10.422283  -0.448530   0.103330   0.082796
     4  C   -0.273000   0.117818  -0.448530   5.268904   0.047597   0.014423
     5  O   -0.112165   0.128805   0.103330   0.047597   8.617679  -0.072404
     6  O    0.120700   0.004742   0.082796   0.014423  -0.072404   8.351073
     7  O    0.008729  -0.013567  -0.093928   0.031812  -0.012119  -0.022397
     8  H   -0.139896  -0.338430   0.492507  -0.067825   0.003747   0.006854
     9  H   -0.048444   0.154658  -0.324663   0.187615  -0.202370  -0.003684
    10  H    0.133015  -0.037549   0.235433  -0.133470  -0.087364  -0.010992
    11  H   -0.060773  -0.087509   0.067083  -0.009826   0.004858   0.024509
    12  C    0.084476  -0.189087  -0.020114  -0.125289   0.024984  -0.021905
    13  C   -0.190334   0.289202  -0.887486  -0.104476  -0.027592   0.023950
    14  H   -0.080694  -0.106994   0.463485  -0.096364   0.019209   0.019310
    15  H    0.005580   0.099624  -0.057933  -0.042121   0.000728  -0.002469
    16  H    0.051545  -0.059703   0.002521   0.083572  -0.003150  -0.004553
    17  H    0.044955  -0.056704   0.131551   0.024066  -0.001480  -0.000748
    18  H   -0.020372   0.046733   0.013238  -0.018851   0.011441   0.001432
    19  H   -0.023160  -0.005572   0.070465  -0.003283  -0.005731   0.001007
               7          8          9         10         11         12
     1  C    0.008729  -0.139896  -0.048444   0.133015  -0.060773   0.084476
     2  C   -0.013567  -0.338430   0.154658  -0.037549  -0.087509  -0.189087
     3  C   -0.093928   0.492507  -0.324663   0.235433   0.067083  -0.020114
     4  C    0.031812  -0.067825   0.187615  -0.133470  -0.009826  -0.125289
     5  O   -0.012119   0.003747  -0.202370  -0.087364   0.004858   0.024984
     6  O   -0.022397   0.006854  -0.003684  -0.010992   0.024509  -0.021905
     7  O    8.444947  -0.181383   0.000614   0.002390   0.316841  -0.032172
     8  H   -0.181383   1.631405   0.017571  -0.014864   0.038403   0.054349
     9  H    0.000614   0.017571   2.137703  -0.534832   0.000082  -0.173819
    10  H    0.002390  -0.014864  -0.534832   2.017453   0.000875   0.108882
    11  H    0.316841   0.038403   0.000082   0.000875   0.592176  -0.007253
    12  C   -0.032172   0.054349  -0.173819   0.108882  -0.007253   4.996951
    13  C    0.044851  -0.144445   0.211298  -0.277427  -0.016812  -0.322348
    14  H    0.011936   0.008415  -0.038632   0.020835  -0.005922   0.000250
    15  H   -0.034114   0.023087   0.023500  -0.018214  -0.001752   0.185971
    16  H    0.015025  -0.013257  -0.062310   0.029271   0.003452   0.113044
    17  H    0.018099  -0.022417   0.006077  -0.011089   0.000606  -0.004241
    18  H   -0.006764   0.009633  -0.005672  -0.012560  -0.000545   0.044281
    19  H    0.004433  -0.033287   0.007541  -0.008764  -0.002368  -0.054551
              13         14         15         16         17         18
     1  C   -0.190334  -0.080694   0.005580   0.051545   0.044955  -0.020372
     2  C    0.289202  -0.106994   0.099624  -0.059703  -0.056704   0.046733
     3  C   -0.887486   0.463485  -0.057933   0.002521   0.131551   0.013238
     4  C   -0.104476  -0.096364  -0.042121   0.083572   0.024066  -0.018851
     5  O   -0.027592   0.019209   0.000728  -0.003150  -0.001480   0.011441
     6  O    0.023950   0.019310  -0.002469  -0.004553  -0.000748   0.001432
     7  O    0.044851   0.011936  -0.034114   0.015025   0.018099  -0.006764
     8  H   -0.144445   0.008415   0.023087  -0.013257  -0.022417   0.009633
     9  H    0.211298  -0.038632   0.023500  -0.062310   0.006077  -0.005672
    10  H   -0.277427   0.020835  -0.018214   0.029271  -0.011089  -0.012560
    11  H   -0.016812  -0.005922  -0.001752   0.003452   0.000606  -0.000545
    12  C   -0.322348   0.000250   0.185971   0.113044  -0.004241   0.044281
    13  C    5.617770  -0.065184   0.049301   0.018896  -0.045561   0.115117
    14  H   -0.065184   1.874892  -0.455611  -0.387466  -0.021112  -0.002878
    15  H    0.049301  -0.455611   1.966611  -0.555991   0.016763   0.022524
    16  H    0.018896  -0.387466  -0.555991   1.987144   0.015656  -0.029332
    17  H   -0.045561  -0.021112   0.016763   0.015656   1.980111  -0.401623
    18  H    0.115117  -0.002878   0.022524  -0.029332  -0.401623   1.726888
    19  H    0.323626   0.016461  -0.055608   0.010671  -0.406110  -0.402128
              19
     1  C   -0.023160
     2  C   -0.005572
     3  C    0.070465
     4  C   -0.003283
     5  O   -0.005731
     6  O    0.001007
     7  O    0.004433
     8  H   -0.033287
     9  H    0.007541
    10  H   -0.008764
    11  H   -0.002368
    12  C   -0.054551
    13  C    0.323626
    14  H    0.016461
    15  H   -0.055608
    16  H    0.010671
    17  H   -0.406110
    18  H   -0.402128
    19  H    1.629319
 Mulliken charges:
               1
     1  C    0.500747
     2  C    1.266892
     3  C   -2.668519
     4  C    1.547231
     5  O   -0.438002
     6  O   -0.511644
     7  O   -0.503231
     8  H   -0.330168
     9  H   -0.352232
    10  H   -0.401028
    11  H    0.143878
    12  C    1.337591
    13  C    1.387655
    14  H   -0.173938
    15  H   -0.169876
    16  H   -0.215032
    17  H   -0.266800
    18  H   -0.090562
    19  H   -0.062963
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.500747
     2  C    0.936723
     3  C   -2.668519
     4  C    0.793971
     5  O   -0.438002
     6  O   -0.511644
     7  O   -0.359353
    12  C    0.778746
    13  C    0.967330
 Electronic spatial extent (au):  <R**2>=           1087.3658
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.5438    Y=             -0.8958    Z=             -0.7465  Tot=              3.7307
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -60.8253   YY=            -56.4461   ZZ=            -52.3692
   XY=             -4.4676   XZ=              0.8576   YZ=              0.7514
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.2784   YY=              0.1008   ZZ=              4.1776
   XY=             -4.4676   XZ=              0.8576   YZ=              0.7514
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             15.2152  YYY=             -3.2755  ZZZ=             -3.0819  XYY=             -3.3865
  XXY=              6.2500  XXZ=             -0.9330  XZZ=             -4.2915  YZZ=             -0.8037
  YYZ=              1.8271  XYZ=             -1.3360
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -810.8653 YYYY=           -429.5570 ZZZZ=           -239.2999 XXXY=             -9.8844
 XXXZ=              7.1171 YYYX=            -24.6501 YYYZ=              5.4212 ZZZX=             -2.0048
 ZZZY=             -0.0230 XXYY=           -181.5941 XXZZ=           -163.7200 YYZZ=           -110.2558
 XXYZ=             -0.4149 YYXZ=              0.3225 ZZXY=             -1.2582
 N-N= 4.972901348258D+02 E-N=-2.068987648075D+03  KE= 4.567820879642D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Jul 28 20:09:34 2021, MaxMem=  5637144576 cpu:               8.8 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.35843125D+00-3.17516348D-01-2.85117247D-01
 Polarizability= 8.74530308D+01-4.41639386D+00 7.59242529D+01
                -1.64995895D+00 1.02113101D+00 6.90442118D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9279    0.9271       -2.1609   -2.1620
 2     -0.9279   -0.9271       -0.3850   -0.3847       -5.9560   -5.9546
 3      2.1609    2.1620        9.8725    9.8722        0.3850    0.3847
 4      0.3850    0.3847        0.0000    0.0000        2.1622    2.1620
 5     -3.9165   -3.9176       -2.1622   -2.1620        0.9269    0.9271
 6     -0.3850   -0.3847       -0.9269   -0.9271        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.7812   -2.7812       -6.4859   -6.4859
 2      1.1540    1.1540       -0.0000    0.0000       -6.4859   -6.4859
 3      1.1540    1.1540       -2.7812   -2.7812        0.0000    0.0000
 4     -2.7812   -2.7812       -1.1540   -1.1540      -17.8637  -17.8637
 5      6.4859    6.4859       29.6166   29.6166        1.1540    1.1540
 6    -11.7529  -11.7529       -6.4859   -6.4859        2.7812    2.7812
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0002    0.0000       -3.6978   -3.7082        8.6587    8.6479
 2      3.6975    3.7082        1.5163    1.5387       23.8072   23.8183
 3     -8.6618   -8.6479      -39.4764  -39.4888       -1.5299   -1.5387
 4     -1.5198   -1.5387        0.0027    0.0000       -8.6285   -8.6479
 5     15.6904   15.6705        8.6424    8.6479       -3.7196   -3.7082
 6      1.5373    1.5387        3.7088    3.7082        0.0033    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0004    0.0000      -15.1246  -15.1461       -2.3005   -2.2751
 2     15.1496   15.1461       17.6182   17.5718       -4.2937   -4.3021
 3      2.2874    2.2751        1.6614    1.6395      -17.5102  -17.5718
 4    -17.5481  -17.5718       -0.0053    0.0000        2.2742    2.2751
 5      2.6425    2.6626       -2.2970   -2.2751      -15.1758  -15.1461
 6     17.5618   17.5718       15.1253   15.1461        0.0502    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.0892   -7.0450       -5.6145   -5.5989        3.3490    3.3658
 2    -32.8677  -32.8360      -20.8211  -20.8341        3.3174    3.3658
 3    -32.8389  -32.8360       -5.6046   -5.5989        5.8159    5.8308
 4     15.2317   15.2353       25.8123   25.7910       -1.9295   -1.9424
 5      2.4791    2.4650       -1.9947   -1.9797      -25.7952  -25.7910
 6      3.8921    3.9221       -2.4928   -2.4650      -15.2496  -15.2353
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9763   -3.8367   -0.0006    0.0003    0.0006    5.5109
 Low frequencies ---   97.0353  188.6123  212.9301
 Diagonal vibrational polarizability:
        8.3247677      22.6362795      21.5526576
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     97.0351               188.6119               212.9300
 Red. masses --      5.5520                 3.5368                 1.2401
 Frc consts  --      0.0308                 0.0741                 0.0331
 IR Inten    --      0.4994                 1.8650                 1.4662
 RamAct Fr= 1--      0.5978                 0.7091                 0.1865
  Dep-P Fr= 1--      0.7437                 0.7148                 0.6718
  Dep-U Fr= 1--      0.8530                 0.8337                 0.8037
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0003
 Beta2  Fr= 1--      0.0850                 0.0985                 0.0250
 AlphaG Fr= 1--     -0.0001                -0.0021                -0.0021
 Gamma2 Fr= 1--      0.0049                -0.1451                -0.0241
 Delta2 Fr= 1--      0.0001                -0.0656                 0.0325
 Raman1 Fr= 1--       2.391                  2.836                  0.746
 ROA1   Fr= 1--       0.472                -16.028                 -1.271
 CID1   Fr= 1--       0.197                 -5.651                 -1.704
 Raman2 Fr= 1--       1.020                  1.182                  0.300
 ROA2   Fr= 1--       0.116                 -2.958                 -0.838
 CID2   Fr= 1--       0.114                 -2.501                 -2.795
 Raman3 Fr= 1--       2.040                  2.365                  0.600
 ROA3   Fr= 1--       0.472                -16.028                 -1.271
 CID3   Fr= 1--       0.232                 -6.778                 -2.120
 RC180  Fr= 1--       0.706                  0.667                  0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.07    -0.02   0.01   0.05    -0.01  -0.00  -0.00
     2   6     0.00  -0.04  -0.09    -0.00  -0.02   0.01     0.00  -0.02   0.00
     3   6    -0.02  -0.01  -0.01     0.00  -0.01  -0.01    -0.01  -0.02   0.00
     4   6     0.01   0.00  -0.15    -0.02   0.02  -0.08    -0.00  -0.03   0.02
     5   8     0.01  -0.02  -0.07     0.03   0.04   0.27    -0.02  -0.01  -0.03
     6   8     0.09   0.05   0.33    -0.06  -0.02  -0.15    -0.00   0.00   0.01
     7   8     0.02   0.02  -0.28     0.09   0.01  -0.07     0.08  -0.02   0.02
     8   1    -0.01  -0.19  -0.08    -0.02  -0.09   0.01    -0.01  -0.01   0.00
     9   1     0.04  -0.07  -0.24     0.13  -0.08  -0.27    -0.04  -0.01   0.05
    10   1    -0.03   0.12  -0.20    -0.28   0.15  -0.17     0.03  -0.06   0.04
    11   1     0.06  -0.03  -0.01     0.07   0.16  -0.27     0.08   0.06  -0.03
    12   6    -0.21  -0.10   0.03     0.01  -0.19   0.02    -0.01   0.00  -0.00
    13   6     0.05   0.08   0.16    -0.03   0.15  -0.00    -0.04   0.08  -0.02
    14   1    -0.25  -0.21  -0.08     0.08  -0.42   0.01    -0.11   0.24  -0.04
    15   1    -0.31  -0.09   0.12    -0.14  -0.19   0.17     0.23  -0.04  -0.03
    16   1    -0.21  -0.06   0.09     0.12  -0.12  -0.10    -0.17  -0.18   0.06
    17   1     0.19   0.14   0.13    -0.02   0.21  -0.02     0.09  -0.34   0.04
    18   1     0.04   0.10   0.23     0.05   0.24  -0.05     0.13   0.47   0.26
    19   1    -0.02   0.09   0.26    -0.17   0.18   0.05    -0.38   0.22  -0.37
                      4                      5                      6
                      A                      A                      A
 Frequencies --    230.2449               257.9348               260.7104
 Red. masses --      1.6968                 2.4618                 1.7837
 Frc consts  --      0.0530                 0.0965                 0.0714
 IR Inten    --      2.4795                26.0061                 4.1396
 RamAct Fr= 1--      0.1406                 0.0937                 0.3172
  Dep-P Fr= 1--      0.6985                 0.4241                 0.3020
  Dep-U Fr= 1--      0.8225                 0.5956                 0.4639
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0032
 Beta2  Fr= 1--      0.0193                 0.0093                 0.0245
 AlphaG Fr= 1--      0.0019                 0.0052                -0.0060
 Gamma2 Fr= 1--     -0.1010                -0.0520                 0.0459
 Delta2 Fr= 1--     -0.1322                -0.0205                 0.0003
 Raman1 Fr= 1--       0.562                  0.375                  1.269
 ROA1   Fr= 1--     -13.921                 -5.650                  4.416
 CID1   Fr= 1--     -24.751                -15.071                  3.480
 Raman2 Fr= 1--       0.231                  0.112                  0.294
 ROA2   Fr= 1--      -1.365                 -1.084                  1.099
 CID2   Fr= 1--      -5.903                 -9.709                  3.735
 Raman3 Fr= 1--       0.463                  0.223                  0.589
 ROA3   Fr= 1--     -13.921                 -5.650                  4.416
 CID3   Fr= 1--     -30.093                -25.304                  7.501
 RC180  Fr= 1--       0.645                  0.191                 -0.072
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00    -0.04  -0.02   0.04    -0.02   0.00   0.01
     2   6    -0.00   0.03  -0.04    -0.02  -0.00   0.01    -0.01  -0.00   0.05
     3   6     0.01   0.02  -0.05    -0.03   0.01  -0.02     0.00   0.01   0.06
     4   6     0.00   0.04  -0.08     0.01   0.01   0.00    -0.00   0.01   0.03
     5   8     0.04   0.02   0.11     0.01  -0.02  -0.03    -0.02  -0.01  -0.06
     6   8     0.01  -0.01  -0.01    -0.07  -0.13   0.02    -0.03  -0.02  -0.01
     7   8    -0.06  -0.01   0.05     0.23   0.03   0.04    -0.04   0.04  -0.12
     8   1    -0.03   0.08  -0.04    -0.10  -0.02   0.01     0.03  -0.11   0.05
     9   1     0.11  -0.01  -0.20     0.02   0.04   0.02    -0.04   0.01   0.04
    10   1    -0.13   0.12  -0.14     0.04  -0.01   0.01     0.06   0.02   0.04
    11   1    -0.08  -0.06   0.03     0.22   0.37  -0.33    -0.04   0.01  -0.07
    12   6    -0.07   0.01  -0.04    -0.10   0.09  -0.02     0.14  -0.07   0.07
    13   6     0.07  -0.07   0.03    -0.03   0.01  -0.01    -0.03   0.04   0.01
    14   1    -0.26   0.45  -0.15    -0.17   0.24  -0.07     0.05   0.33   0.09
    15   1     0.38  -0.07  -0.07     0.02   0.07  -0.08     0.63  -0.16   0.08
    16   1    -0.39  -0.34   0.10    -0.20   0.01   0.08    -0.10  -0.44   0.03
    17   1     0.15  -0.10   0.02    -0.15   0.36  -0.06    -0.14   0.25  -0.01
    18   1    -0.00  -0.13   0.11    -0.13  -0.26  -0.26    -0.05  -0.09  -0.17
    19   1     0.15  -0.09   0.01     0.18  -0.08   0.29     0.06  -0.01   0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    299.7248               344.2964               358.3916
 Red. masses --      2.3410                 2.4059                 1.1906
 Frc consts  --      0.1239                 0.1680                 0.0901
 IR Inten    --      5.6531                 6.1980                69.7190
 RamAct Fr= 1--      1.0467                 0.7234                 0.8800
  Dep-P Fr= 1--      0.3555                 0.6114                 0.7231
  Dep-U Fr= 1--      0.5246                 0.7589                 0.8393
 Alpha2 Fr= 1--      0.0090                 0.0018                 0.0004
 Beta2  Fr= 1--      0.0915                 0.0915                 0.1231
 AlphaG Fr= 1--     -0.0062                 0.0023                -0.0078
 Gamma2 Fr= 1--     -0.1706                -0.1244                 0.0093
 Delta2 Fr= 1--     -0.0737                -0.0206                 0.0152
 Raman1 Fr= 1--       4.187                  2.893                  3.520
 ROA1   Fr= 1--     -18.736                -12.597                  1.376
 CID1   Fr= 1--      -4.475                 -4.354                  0.391
 Raman2 Fr= 1--       1.098                  1.098                  1.477
 ROA2   Fr= 1--      -3.505                 -2.820                  0.101
 CID2   Fr= 1--      -3.192                 -2.569                  0.068
 Raman3 Fr= 1--       2.196                  2.196                  2.954
 ROA3   Fr= 1--     -18.736                -12.597                  1.376
 CID3   Fr= 1--      -8.531                 -5.737                  0.466
 RC180  Fr= 1--       0.049                  0.518                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.01  -0.05    -0.05  -0.02   0.00    -0.02  -0.01  -0.01
     2   6     0.03  -0.06  -0.05    -0.02  -0.07  -0.02    -0.00   0.00   0.01
     3   6     0.01  -0.04  -0.03    -0.01  -0.04  -0.02    -0.00  -0.02  -0.00
     4   6     0.01  -0.07   0.08    -0.07  -0.04  -0.08    -0.01  -0.01  -0.01
     5   8    -0.01  -0.02   0.04    -0.08  -0.03   0.00    -0.01   0.00   0.02
     6   8     0.10   0.14  -0.01    -0.03   0.05   0.01    -0.03  -0.04  -0.02
     7   8    -0.02  -0.10   0.05     0.01  -0.10   0.04     0.05   0.03  -0.04
     8   1     0.05   0.01  -0.05    -0.03  -0.07  -0.02    -0.01   0.02   0.01
     9   1    -0.04   0.01   0.20    -0.05  -0.12  -0.18    -0.01  -0.04  -0.05
    10   1     0.04  -0.21   0.14    -0.14   0.06  -0.13    -0.05   0.02  -0.03
    11   1    -0.01  -0.21   0.16    -0.03   0.01  -0.28     0.19  -0.21   0.93
    12   6    -0.09  -0.01  -0.03     0.14   0.12  -0.08     0.01   0.03  -0.02
    13   6    -0.05   0.14  -0.05     0.07   0.08   0.15     0.00   0.01   0.02
    14   1    -0.18   0.14  -0.11     0.24   0.21   0.11     0.02   0.08   0.01
    15   1     0.04  -0.03  -0.04     0.15   0.15  -0.29     0.02   0.04  -0.09
    16   1    -0.22  -0.12   0.08     0.23   0.21  -0.12     0.01   0.06   0.01
    17   1    -0.20   0.54  -0.11     0.29   0.23   0.10     0.02   0.06   0.01
    18   1    -0.01  -0.00  -0.39     0.04   0.09   0.23     0.01   0.01   0.01
    19   1    -0.03   0.09   0.29    -0.02   0.08   0.37    -0.02   0.01   0.08
                     10                     11                     12
                      A                      A                      A
 Frequencies --    385.4662               512.1437               547.9256
 Red. masses --      2.2147                 4.2067                 5.0902
 Frc consts  --      0.1939                 0.6501                 0.9004
 IR Inten    --      0.5740                10.6986                 2.0701
 RamAct Fr= 1--      0.6788                 1.7027                 2.9726
  Dep-P Fr= 1--      0.5063                 0.1941                 0.6315
  Dep-U Fr= 1--      0.6722                 0.3251                 0.7742
 Alpha2 Fr= 1--      0.0033                 0.0235                 0.0064
 Beta2  Fr= 1--      0.0761                 0.0922                 0.3835
 AlphaG Fr= 1--      0.0139                -0.0571                 0.0205
 Gamma2 Fr= 1--      0.1915                -0.1400                 0.5821
 Delta2 Fr= 1--     -0.0740                -0.1119                 0.1527
 Raman1 Fr= 1--       2.715                  6.811                 11.890
 ROA1   Fr= 1--      16.019                -17.022                 60.771
 CID1   Fr= 1--       5.900                 -2.499                  5.111
 Raman2 Fr= 1--       0.913                  1.107                  4.603
 ROA2   Fr= 1--       5.188                 -2.465                 12.749
 CID2   Fr= 1--       5.685                 -2.227                  2.770
 Raman3 Fr= 1--       1.825                  2.214                  9.205
 ROA3   Fr= 1--      16.019                -17.022                 60.771
 CID3   Fr= 1--       8.776                 -7.689                  6.602
 RC180  Fr= 1--       0.344                 -0.350                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.03    -0.01   0.01   0.27     0.17  -0.01   0.05
     2   6    -0.04   0.05  -0.09     0.00  -0.04   0.24     0.02   0.15   0.09
     3   6    -0.01   0.03  -0.12     0.16  -0.03  -0.06    -0.10  -0.14  -0.04
     4   6     0.00  -0.02   0.14     0.01  -0.07  -0.00    -0.06  -0.22  -0.03
     5   8    -0.01   0.04   0.01    -0.06  -0.05  -0.07     0.03  -0.10   0.03
     6   8    -0.05  -0.06   0.04    -0.08   0.06  -0.10     0.17  -0.04  -0.06
     7   8    -0.00   0.04   0.02    -0.06   0.05  -0.04    -0.06   0.28  -0.00
     8   1    -0.10   0.12  -0.09    -0.29  -0.23   0.22    -0.04   0.21   0.09
     9   1    -0.08   0.22   0.43    -0.08  -0.04   0.08     0.01  -0.14   0.01
    10   1     0.11  -0.37   0.28     0.00  -0.17   0.04    -0.06  -0.28  -0.01
    11   1     0.00   0.06   0.04    -0.07  -0.03  -0.01    -0.11   0.23  -0.18
    12   6     0.03  -0.12  -0.12    -0.07   0.01  -0.06    -0.01   0.00  -0.13
    13   6     0.11   0.04   0.06     0.22   0.05  -0.10    -0.16  -0.02   0.10
    14   1     0.05  -0.20  -0.11    -0.23   0.02  -0.30     0.05   0.15   0.03
    15   1     0.06  -0.15   0.05    -0.20   0.03  -0.07     0.01   0.04  -0.41
    16   1     0.03  -0.20  -0.26    -0.18   0.07   0.25     0.05   0.11  -0.10
    17   1     0.34   0.08   0.03     0.25   0.08  -0.11    -0.04   0.09   0.07
    18   1     0.02   0.02   0.22     0.26   0.09  -0.11    -0.11   0.06   0.13
    19   1     0.09   0.03   0.17     0.16   0.06  -0.07    -0.32   0.00   0.25
                     13                     14                     15
                      A                      A                      A
 Frequencies --    562.8795               651.0688               721.8594
 Red. masses --      3.5193                 6.7744                 6.2981
 Frc consts  --      0.6570                 1.6919                 1.9336
 IR Inten    --      7.8879                 1.9480                 3.5348
 RamAct Fr= 1--      2.2051                 5.0547                12.3378
  Dep-P Fr= 1--      0.1367                 0.1591                 0.1050
  Dep-U Fr= 1--      0.2404                 0.2745                 0.1900
 Alpha2 Fr= 1--      0.0353                 0.0764                 0.2134
 Beta2  Fr= 1--      0.0884                 0.2313                 0.3907
 AlphaG Fr= 1--      0.0373                -0.0102                 0.0875
 Gamma2 Fr= 1--     -0.2937                 0.1044                -0.3515
 Delta2 Fr= 1--      0.1618                 0.2072                -0.2544
 Raman1 Fr= 1--       8.820                 20.219                 49.351
 ROA1   Fr= 1--     -23.020                 16.652                -41.885
 CID1   Fr= 1--      -2.610                  0.824                 -0.849
 Raman2 Fr= 1--       1.060                  2.775                  4.688
 ROA2   Fr= 1--      -8.344                  0.847                 -6.401
 CID2   Fr= 1--      -7.868                  0.305                 -1.365
 Raman3 Fr= 1--       2.121                  5.551                  9.377
 ROA3   Fr= 1--     -23.020                 16.652                -41.885
 CID3   Fr= 1--     -10.854                  3.000                 -4.467
 RC180  Fr= 1--      -0.519                 -0.451                 -0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.08   0.13     0.04   0.23   0.15    -0.25  -0.05  -0.20
     2   6    -0.14  -0.06   0.05    -0.02  -0.08   0.06    -0.15   0.01  -0.03
     3   6    -0.13   0.12  -0.06    -0.02  -0.19   0.00     0.05  -0.17   0.04
     4   6     0.13   0.10   0.00     0.14  -0.04  -0.03     0.30  -0.17  -0.05
     5   8     0.07  -0.13  -0.03     0.23   0.36  -0.09     0.15  -0.07   0.05
     6   8     0.04   0.18  -0.09    -0.10  -0.03  -0.03    -0.19   0.20   0.08
     7   8     0.06  -0.04  -0.01    -0.05  -0.16  -0.02    -0.01   0.15   0.02
     8   1    -0.37  -0.16   0.04    -0.13  -0.26   0.05     0.05   0.21  -0.01
     9   1     0.27   0.24   0.06    -0.05  -0.07   0.07     0.25  -0.22  -0.06
    10   1     0.20   0.08   0.03     0.18  -0.14   0.01     0.27  -0.16  -0.06
    11   1     0.11   0.08   0.22    -0.06  -0.20  -0.06    -0.00   0.31  -0.05
    12   6    -0.00  -0.02  -0.07    -0.02  -0.04  -0.11     0.02  -0.02   0.07
    13   6    -0.10  -0.04   0.07    -0.17  -0.07   0.10     0.05  -0.02  -0.02
    14   1     0.09  -0.09   0.03     0.00   0.12  -0.02    -0.02   0.13   0.07
    15   1     0.10  -0.06   0.07    -0.02   0.01  -0.41    -0.03   0.04  -0.19
    16   1     0.04  -0.14  -0.32     0.02   0.09   0.00     0.02   0.13   0.29
    17   1     0.04  -0.15   0.08    -0.15  -0.00   0.09    -0.00   0.02  -0.03
    18   1    -0.28  -0.16   0.28    -0.11  -0.00   0.07     0.15   0.04  -0.12
    19   1     0.08  -0.09   0.02    -0.29  -0.05   0.19    -0.05  -0.00   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    808.8596               894.6888               914.4906
 Red. masses --      3.3019                 4.3023                 2.2306
 Frc consts  --      1.2728                 2.0291                 1.0991
 IR Inten    --      0.8868                 2.9773                 9.3222
 RamAct Fr= 1--      7.4509                 1.7086                 1.9759
  Dep-P Fr= 1--      0.1196                 0.2106                 0.4012
  Dep-U Fr= 1--      0.2137                 0.3479                 0.5726
 Alpha2 Fr= 1--      0.1243                 0.0226                 0.0146
 Beta2  Fr= 1--      0.2654                 0.0991                 0.1886
 AlphaG Fr= 1--     -0.0579                 0.0137                -0.0335
 Gamma2 Fr= 1--     -0.1329                -0.2737                 0.8946
 Delta2 Fr= 1--      0.3800                -0.3815                 0.2672
 Raman1 Fr= 1--      29.804                  6.834                  7.903
 ROA1   Fr= 1--      -0.595                -38.486                 94.429
 CID1   Fr= 1--      -0.020                 -5.631                 11.948
 Raman2 Fr= 1--       3.185                  1.189                  2.263
 ROA2   Fr= 1--      -6.229                 -3.517                 19.332
 CID2   Fr= 1--      -1.956                 -2.958                  8.543
 Raman3 Fr= 1--       6.369                  2.378                  4.526
 ROA3   Fr= 1--      -0.595                -38.486                 94.429
 CID3   Fr= 1--      -0.093                -16.185                 20.865
 RC180  Fr= 1--      -0.573                 -0.304                  0.145
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.05   0.11     0.02  -0.04  -0.28    -0.04   0.03   0.01
     2   6    -0.16   0.02  -0.16    -0.19  -0.10   0.30     0.17   0.01   0.05
     3   6    -0.06   0.02  -0.07    -0.04   0.05  -0.00    -0.01   0.13  -0.04
     4   6    -0.03  -0.17  -0.07    -0.10  -0.05  -0.02     0.03  -0.15  -0.12
     5   8     0.03   0.05  -0.02     0.07   0.12   0.03    -0.01  -0.02   0.03
     6   8     0.05  -0.01  -0.05     0.13  -0.01   0.03    -0.08   0.01   0.02
     7   8     0.00  -0.02   0.02     0.02  -0.03  -0.04     0.00  -0.02  -0.01
     8   1    -0.48   0.02  -0.18    -0.06  -0.20   0.30     0.32   0.01   0.05
     9   1    -0.10  -0.13   0.02    -0.21  -0.02   0.06     0.02   0.10   0.14
    10   1    -0.06  -0.33  -0.03    -0.10  -0.18   0.02     0.02  -0.49  -0.01
    11   1     0.04   0.14   0.10     0.08   0.34   0.03    -0.04  -0.24  -0.05
    12   6     0.01   0.06   0.26     0.00  -0.00  -0.01    -0.00   0.04   0.01
    13   6     0.06   0.02  -0.06     0.04   0.07  -0.06    -0.07   0.07   0.03
    14   1     0.11   0.04   0.41    -0.05   0.02  -0.08     0.00  -0.03  -0.02
    15   1     0.12   0.03   0.31    -0.04   0.01  -0.02     0.03   0.01   0.16
    16   1     0.06   0.00   0.07    -0.02   0.02   0.07    -0.01  -0.04  -0.08
    17   1     0.15   0.00  -0.06     0.27  -0.09  -0.06    -0.06  -0.19   0.07
    18   1    -0.01  -0.03   0.02    -0.24  -0.15   0.22    -0.36  -0.21   0.19
    19   1     0.15   0.00  -0.06     0.37  -0.02  -0.09     0.36  -0.02  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    950.3410               969.4609              1007.1773
 Red. masses --      1.6842                 1.3779                 2.0948
 Frc consts  --      0.8962                 0.7630                 1.2520
 IR Inten    --      0.2404                 0.6954                17.7927
 RamAct Fr= 1--      3.1135                 1.2651                 1.5866
  Dep-P Fr= 1--      0.6449                 0.7470                 0.7329
  Dep-U Fr= 1--      0.7841                 0.8552                 0.8458
 Alpha2 Fr= 1--      0.0059                 0.0001                 0.0005
 Beta2  Fr= 1--      0.4069                 0.1803                 0.2237
 AlphaG Fr= 1--     -0.0042                -0.0003                 0.0018
 Gamma2 Fr= 1--     -0.4204                 0.0203                -0.8963
 Delta2 Fr= 1--     -0.5684                 0.0153                -0.1976
 Raman1 Fr= 1--      12.454                  5.060                  6.346
 ROA1   Fr= 1--     -58.547                  2.437                -92.366
 CID1   Fr= 1--      -4.701                  0.482                -14.554
 Raman2 Fr= 1--       4.883                  2.164                  2.684
 ROA2   Fr= 1--      -5.542                  0.364                -19.931
 CID2   Fr= 1--      -1.135                  0.168                 -7.426
 Raman3 Fr= 1--       9.766                  4.328                  5.368
 ROA3   Fr= 1--     -58.547                  2.437                -92.366
 CID3   Fr= 1--      -5.995                  0.563                -17.207
 RC180  Fr= 1--       0.568                  0.710                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01     0.00  -0.01   0.00    -0.04   0.01  -0.00
     2   6     0.05   0.00   0.04     0.01   0.00   0.01     0.10  -0.01   0.05
     3   6    -0.03  -0.06  -0.10    -0.07  -0.02   0.04    -0.10  -0.02  -0.01
     4   6    -0.03   0.12  -0.08    -0.01   0.03  -0.03    -0.10  -0.03   0.07
     5   8     0.01  -0.01   0.02     0.00  -0.00   0.01     0.14  -0.03  -0.02
     6   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.05   0.03   0.01
     7   8     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
     8   1     0.06   0.01   0.03     0.05  -0.01   0.02     0.17   0.00   0.06
     9   1     0.10   0.53   0.25     0.02   0.20   0.11     0.02  -0.15  -0.12
    10   1     0.03  -0.31   0.08     0.03  -0.14   0.03    -0.02   0.22  -0.01
    11   1    -0.01  -0.08  -0.03     0.00  -0.01  -0.00    -0.03  -0.18  -0.04
    12   6     0.03  -0.03   0.11    -0.10  -0.06  -0.01    -0.08   0.07   0.01
    13   6    -0.04  -0.05  -0.05     0.10   0.04   0.01     0.04  -0.03  -0.10
    14   1    -0.03   0.14   0.10     0.16   0.18   0.50     0.13  -0.10   0.27
    15   1    -0.08   0.04  -0.16     0.12  -0.03  -0.44     0.17  -0.02   0.26
    16   1     0.03   0.14   0.34     0.14   0.09  -0.27     0.00  -0.15  -0.48
    17   1     0.30   0.13  -0.12    -0.26  -0.09   0.07     0.38   0.18  -0.17
    18   1    -0.02   0.08   0.13     0.17  -0.01  -0.24     0.07   0.11   0.08
    19   1    -0.24  -0.03   0.24     0.17   0.05  -0.26    -0.17  -0.01   0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.5317              1049.4553              1130.4699
 Red. masses --      3.3424                 1.5872                 3.9577
 Frc consts  --      2.0751                 1.0299                 2.9800
 IR Inten    --     74.3845                14.1897               252.7943
 RamAct Fr= 1--      1.3003                 0.6658                 2.1208
  Dep-P Fr= 1--      0.7220                 0.7227                 0.4020
  Dep-U Fr= 1--      0.8386                 0.8390                 0.5735
 Alpha2 Fr= 1--      0.0006                 0.0003                 0.0156
 Beta2  Fr= 1--      0.1817                 0.0931                 0.2027
 AlphaG Fr= 1--      0.0060                 0.0010                -0.0316
 Gamma2 Fr= 1--      1.2235                -0.2652                -0.1791
 Delta2 Fr= 1--     -0.0150                 0.1214                 0.4631
 Raman1 Fr= 1--       5.201                  2.663                  8.483
 ROA1   Fr= 1--     116.976                -21.577                 -2.377
 CID1   Fr= 1--      22.490                 -8.102                 -0.280
 Raman2 Fr= 1--       2.181                  1.117                  2.432
 ROA2   Fr= 1--      29.484                 -7.337                 -8.004
 CID2   Fr= 1--      13.520                 -6.567                 -3.290
 Raman3 Fr= 1--       4.362                  2.234                  4.865
 ROA3   Fr= 1--     116.976                -21.577                 -2.377
 CID3   Fr= 1--      26.819                 -9.657                 -0.489
 RC180  Fr= 1--       0.677                  0.678                  0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.06  -0.03     0.00  -0.02  -0.05     0.04   0.24  -0.03
     2   6     0.02  -0.02   0.05    -0.01  -0.02   0.06    -0.07   0.27   0.09
     3   6    -0.09  -0.05  -0.01     0.03   0.01  -0.03    -0.07   0.03   0.05
     4   6     0.28  -0.01   0.04     0.06  -0.01  -0.09    -0.01  -0.08   0.00
     5   8    -0.24   0.06   0.02    -0.06   0.04   0.03    -0.01  -0.13   0.02
     6   8     0.03  -0.06   0.00     0.02  -0.01   0.01    -0.02  -0.02   0.00
     7   8    -0.00   0.01  -0.00     0.00   0.00  -0.01    -0.01  -0.22  -0.08
     8   1     0.06  -0.01   0.05    -0.15  -0.03   0.05     0.24   0.23   0.09
     9   1     0.27  -0.20  -0.15     0.00   0.16   0.11     0.49   0.17  -0.04
    10   1     0.09   0.27  -0.08     0.05  -0.25  -0.00     0.09   0.00  -0.01
    11   1    -0.03  -0.10  -0.05     0.00   0.02  -0.01     0.13   0.42   0.11
    12   6    -0.07  -0.00   0.03    -0.03   0.10  -0.01     0.03  -0.01  -0.03
    13   6    -0.01   0.01  -0.12     0.02  -0.09   0.06     0.05  -0.04  -0.01
    14   1     0.09   0.04   0.29     0.05  -0.18  -0.01    -0.05  -0.01  -0.15
    15   1     0.10  -0.02  -0.09     0.13   0.00   0.42    -0.06   0.01   0.01
    16   1     0.05  -0.01  -0.21    -0.05  -0.17  -0.34    -0.03   0.02   0.14
    17   1     0.48   0.06  -0.17    -0.26   0.12   0.05     0.03   0.10  -0.03
    18   1    -0.21  -0.04   0.27     0.35   0.17  -0.25     0.21   0.12  -0.10
    19   1     0.06  -0.05   0.16    -0.37   0.02   0.07    -0.12   0.01   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1180.5115              1192.6554              1226.0178
 Red. masses --      1.8675                 2.5416                 1.5189
 Frc consts  --      1.5334                 2.1300                 1.3452
 IR Inten    --     15.7494                19.9778                22.9007
 RamAct Fr= 1--      3.7393                 2.4377                 1.0833
  Dep-P Fr= 1--      0.7403                 0.6778                 0.7350
  Dep-U Fr= 1--      0.8508                 0.8080                 0.8473
 Alpha2 Fr= 1--      0.0006                 0.0031                 0.0003
 Beta2  Fr= 1--      0.5302                 0.3283                 0.1530
 AlphaG Fr= 1--      0.0115                -0.0068                 0.0026
 Gamma2 Fr= 1--     -0.1080                 0.0922                 0.4179
 Delta2 Fr= 1--     -0.2508                -0.0601                -0.0441
 Raman1 Fr= 1--      14.957                  9.751                  4.333
 ROA1   Fr= 1--     -18.399                  6.924                 38.710
 CID1   Fr= 1--      -1.230                  0.710                  8.934
 Raman2 Fr= 1--       6.363                  3.939                  1.836
 ROA2   Fr= 1--      -0.586                  2.693                 10.383
 CID2   Fr= 1--      -0.092                  0.684                  5.656
 Raman3 Fr= 1--      12.725                  7.879                  3.671
 ROA3   Fr= 1--     -18.399                  6.924                 38.710
 CID3   Fr= 1--      -1.446                  0.879                 10.544
 RC180  Fr= 1--       0.702                  0.616                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.14   0.10     0.03   0.18   0.01     0.00   0.03  -0.02
     2   6    -0.05   0.05  -0.04    -0.04  -0.17  -0.09     0.02   0.08   0.02
     3   6    -0.05   0.06   0.12    -0.05  -0.09   0.13     0.09  -0.10  -0.00
     4   6     0.03  -0.01  -0.07    -0.04   0.03  -0.09    -0.01   0.06  -0.05
     5   8    -0.01   0.06   0.01    -0.00  -0.06   0.03    -0.00  -0.05   0.05
     6   8     0.01   0.01  -0.02     0.01  -0.02  -0.01    -0.00  -0.00   0.00
     7   8     0.00  -0.03  -0.01    -0.03   0.09   0.06     0.00  -0.04  -0.02
     8   1     0.59   0.18   0.00     0.33  -0.46  -0.05    -0.37   0.21  -0.00
     9   1    -0.52  -0.13   0.13     0.10   0.35   0.15    -0.54  -0.09   0.11
    10   1     0.25  -0.12   0.00     0.42  -0.02   0.02     0.56   0.14   0.03
    11   1     0.05   0.19   0.05     0.00   0.20   0.11     0.00  -0.03  -0.03
    12   6     0.00  -0.01  -0.04     0.03   0.05  -0.04    -0.03   0.03   0.00
    13   6     0.01  -0.04  -0.06     0.03   0.03  -0.04    -0.04   0.04  -0.01
    14   1    -0.02   0.01  -0.07    -0.02  -0.14  -0.20     0.05  -0.07   0.09
    15   1    -0.04  -0.00  -0.04    -0.02   0.02   0.18     0.10  -0.01   0.05
    16   1    -0.01  -0.01  -0.01    -0.09  -0.13  -0.05    -0.00  -0.04  -0.14
    17   1     0.22   0.12  -0.11     0.13  -0.04  -0.04     0.04  -0.10   0.01
    18   1     0.07   0.10   0.05    -0.03  -0.02   0.01    -0.17  -0.09   0.09
    19   1    -0.09  -0.03   0.12     0.15  -0.00  -0.02     0.13  -0.01   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1246.3210              1259.2052              1312.8070
 Red. masses --      1.6359                 2.3023                 1.9000
 Frc consts  --      1.4971                 2.1509                 1.9293
 IR Inten    --      5.9440                41.7650                 8.5763
 RamAct Fr= 1--      2.5224                 4.0408                 3.8630
  Dep-P Fr= 1--      0.7155                 0.6050                 0.7066
  Dep-U Fr= 1--      0.8342                 0.7539                 0.8281
 Alpha2 Fr= 1--      0.0015                 0.0108                 0.0029
 Beta2  Fr= 1--      0.3507                 0.5077                 0.5331
 AlphaG Fr= 1--     -0.0024                -0.0001                -0.0137
 Gamma2 Fr= 1--     -0.8292                -1.5883                 1.7380
 Delta2 Fr= 1--     -0.6311                -0.7553                 0.8148
 Raman1 Fr= 1--      10.090                 16.163                 15.452
 ROA1   Fr= 1--     -99.795               -176.647                192.924
 CID1   Fr= 1--      -9.891                -10.929                 12.485
 Raman2 Fr= 1--       4.208                  6.093                  6.398
 ROA2   Fr= 1--     -14.851                -32.077                 35.195
 CID2   Fr= 1--      -3.529                 -5.265                  5.501
 Raman3 Fr= 1--       8.416                 12.185                 12.795
 ROA3   Fr= 1--     -99.795               -176.647                192.924
 CID3   Fr= 1--     -11.857                -14.497                 15.078
 RC180  Fr= 1--       0.668                  0.508                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.05  -0.05     0.01   0.07  -0.02    -0.01  -0.06  -0.02
     2   6     0.04  -0.00  -0.01    -0.01  -0.05  -0.03    -0.01   0.10  -0.03
     3   6    -0.07   0.16   0.05     0.25   0.13   0.02     0.04  -0.05   0.22
     4   6    -0.00  -0.06  -0.03    -0.02  -0.01  -0.00     0.00   0.01  -0.03
     5   8     0.00  -0.02   0.03     0.00  -0.04  -0.00     0.01   0.01  -0.02
     6   8    -0.01  -0.01   0.01    -0.01  -0.00   0.00    -0.00   0.01   0.00
     7   8     0.02   0.02   0.02    -0.04  -0.00   0.02     0.02  -0.01   0.00
     8   1    -0.48  -0.38  -0.03     0.07  -0.21  -0.02    -0.47  -0.14  -0.06
     9   1    -0.19  -0.11   0.03    -0.03  -0.05  -0.03     0.24   0.20   0.03
    10   1     0.38   0.12  -0.02    -0.16  -0.14   0.01    -0.45  -0.34   0.02
    11   1    -0.06  -0.35  -0.07     0.08   0.51   0.16    -0.04  -0.29  -0.08
    12   6     0.03  -0.07  -0.01    -0.10  -0.05   0.01    -0.01   0.02  -0.05
    13   6     0.02  -0.06  -0.01    -0.08  -0.06  -0.03    -0.02   0.02  -0.07
    14   1    -0.07   0.15  -0.06     0.06   0.10   0.30     0.00  -0.11  -0.09
    15   1    -0.11  -0.00  -0.21     0.19  -0.05  -0.26     0.05  -0.00  -0.01
    16   1     0.05   0.10   0.15     0.15   0.13  -0.25    -0.03  -0.08  -0.15
    17   1     0.03   0.18  -0.05     0.09   0.08  -0.06     0.21  -0.03  -0.07
    18   1     0.15   0.13  -0.01    -0.09   0.07   0.21    -0.06   0.06   0.13
    19   1    -0.17  -0.01   0.05    -0.19  -0.06   0.25     0.15  -0.05   0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1367.0538              1394.9468              1399.9303
 Red. masses --      1.3478                 1.6177                 1.4516
 Frc consts  --      1.4840                 1.8546                 1.6761
 IR Inten    --      4.2964                 6.5224                13.0925
 RamAct Fr= 1--      2.4278                 1.9960                 0.7365
  Dep-P Fr= 1--      0.5642                 0.4747                 0.7448
  Dep-U Fr= 1--      0.7214                 0.6438                 0.8537
 Alpha2 Fr= 1--      0.0085                 0.0110                 0.0001
 Beta2  Fr= 1--      0.2919                 0.2142                 0.1048
 AlphaG Fr= 1--      0.0230                 0.0123                -0.0034
 Gamma2 Fr= 1--      1.5514                -0.6875                 0.6483
 Delta2 Fr= 1--      0.7699                 0.0226                 0.2801
 Raman1 Fr= 1--       9.711                  7.984                  2.946
 ROA1   Fr= 1--     173.571                -65.278                 71.195
 CID1   Fr= 1--      17.873                 -8.176                 24.166
 Raman2 Fr= 1--       3.503                  2.570                  1.258
 ROA2   Fr= 1--      31.075                -16.681                 13.318
 CID2   Fr= 1--       8.871                 -6.491                 10.590
 Raman3 Fr= 1--       7.006                  5.140                  2.515
 ROA3   Fr= 1--     173.571                -65.278                 71.195
 CID3   Fr= 1--      24.776                -12.700                 28.307
 RC180  Fr= 1--       0.443                  0.288                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.03  -0.13   0.01    -0.00   0.02  -0.01
     2   6     0.04  -0.12   0.00     0.11   0.08  -0.02     0.12  -0.03  -0.00
     3   6     0.01   0.04   0.06    -0.00  -0.04  -0.02    -0.09  -0.01   0.01
     4   6    -0.05  -0.06  -0.01    -0.04  -0.07   0.00     0.05   0.05   0.00
     5   8    -0.01   0.04  -0.00    -0.02   0.08  -0.00     0.01  -0.02  -0.00
     6   8     0.00   0.00  -0.00     0.00   0.01   0.00    -0.01   0.00   0.00
     7   8    -0.01   0.00  -0.02    -0.04  -0.02   0.01    -0.04  -0.02  -0.00
     8   1    -0.28   0.78  -0.01    -0.15  -0.50  -0.03    -0.27   0.01  -0.02
     9   1     0.33   0.23   0.05     0.32   0.19   0.04    -0.25  -0.17  -0.03
    10   1     0.22   0.17  -0.04     0.32   0.28  -0.04    -0.25  -0.18   0.02
    11   1     0.02   0.11   0.00     0.08   0.52   0.16     0.07   0.51   0.14
    12   6     0.01  -0.01  -0.00    -0.01   0.00  -0.02     0.04   0.02   0.07
    13   6    -0.01  -0.01  -0.02    -0.02   0.02   0.01     0.01   0.00   0.00
    14   1    -0.03   0.03  -0.05     0.05   0.01   0.08    -0.16  -0.08  -0.30
    15   1    -0.04   0.01  -0.08     0.04  -0.03   0.13    -0.17   0.11  -0.33
    16   1     0.02  -0.02  -0.04    -0.01   0.06   0.09    -0.01  -0.25  -0.25
    17   1     0.04   0.04  -0.02     0.06  -0.02   0.00     0.05   0.03  -0.01
    18   1     0.02   0.06   0.05    -0.01  -0.01  -0.04     0.03  -0.00  -0.06
    19   1     0.03  -0.02   0.03     0.08  -0.00  -0.05     0.03   0.01  -0.07
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1411.4127              1435.8153              1485.5882
 Red. masses --      1.3183                 1.2793                 1.0451
 Frc consts  --      1.5473                 1.5539                 1.3590
 IR Inten    --      9.8421                 9.1322                 0.5286
 RamAct Fr= 1--      0.2862                 0.3718                 4.8920
  Dep-P Fr= 1--      0.3028                 0.5347                 0.7480
  Dep-U Fr= 1--      0.4649                 0.6968                 0.8559
 Alpha2 Fr= 1--      0.0029                 0.0015                 0.0002
 Beta2  Fr= 1--      0.0222                 0.0432                 0.6978
 AlphaG Fr= 1--     -0.0088                 0.0101                 0.0025
 Gamma2 Fr= 1--      0.0188                -0.1358                 0.2762
 Delta2 Fr= 1--     -0.0077                -0.1182                -0.0708
 Raman1 Fr= 1--       1.145                  1.487                 19.568
 ROA1   Fr= 1--       1.561                -16.816                 24.252
 CID1   Fr= 1--       1.364                -11.307                  1.239
 Raman2 Fr= 1--       0.266                  0.518                  8.374
 ROA2   Fr= 1--       0.513                 -2.313                  7.196
 CID2   Fr= 1--       1.929                 -4.464                  0.859
 Raman3 Fr= 1--       0.532                  1.036                 16.747
 ROA3   Fr= 1--       1.561                -16.816                 24.252
 CID3   Fr= 1--       2.933                -16.228                  1.448
 RC180  Fr= 1--      -0.070                  0.394                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.00
     2   6    -0.05   0.02   0.01     0.05  -0.04  -0.00    -0.00   0.00  -0.00
     3   6     0.05   0.00  -0.03    -0.03   0.00   0.01     0.01  -0.00  -0.01
     4   6    -0.02  -0.02   0.01     0.04   0.03  -0.00    -0.01   0.01   0.00
     5   8    -0.01   0.01   0.00     0.01  -0.02  -0.00    -0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8     0.02   0.00   0.00    -0.02  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.14  -0.07   0.02    -0.15   0.13  -0.01     0.01  -0.01  -0.00
     9   1     0.09   0.05   0.00    -0.20  -0.07   0.03     0.03  -0.03  -0.05
    10   1     0.11   0.09  -0.01    -0.22  -0.10  -0.00     0.04  -0.03   0.03
    11   1    -0.03  -0.18  -0.05     0.02   0.17   0.04    -0.00   0.00  -0.00
    12   6    -0.00   0.01   0.07    -0.01  -0.02  -0.10     0.00   0.04  -0.01
    13   6    -0.11  -0.03   0.06    -0.06  -0.02   0.03     0.00  -0.04  -0.00
    14   1    -0.12  -0.09  -0.19     0.18   0.13   0.29     0.23  -0.37   0.17
    15   1     0.04   0.05  -0.26     0.03  -0.10   0.41     0.03   0.05  -0.24
    16   1     0.07  -0.08  -0.24    -0.06   0.20   0.35    -0.29  -0.23   0.23
    17   1     0.44   0.14  -0.04     0.30   0.11  -0.04    -0.24   0.44  -0.06
    18   1     0.28   0.23  -0.32     0.20   0.18  -0.20    -0.02   0.19   0.39
    19   1     0.38  -0.10  -0.28     0.27  -0.07  -0.19     0.16  -0.04  -0.24
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.4236              1507.4508              1512.0477
 Red. masses --      1.0512                 1.0588                 1.0620
 Frc consts  --      1.3813                 1.4176                 1.4305
 IR Inten    --      3.3729                10.8047                11.3274
 RamAct Fr= 1--      1.9300                 4.6921                 1.9032
  Dep-P Fr= 1--      0.6099                 0.7448                 0.7495
  Dep-U Fr= 1--      0.7577                 0.8538                 0.8568
 Alpha2 Fr= 1--      0.0050                 0.0004                 0.0000
 Beta2  Fr= 1--      0.2437                 0.6677                 0.2718
 AlphaG Fr= 1--     -0.0048                -0.0011                 0.0003
 Gamma2 Fr= 1--     -0.8250                 0.2521                -0.1027
 Delta2 Fr= 1--     -0.1706                 0.3881                -0.2488
 Raman1 Fr= 1--       7.720                 18.769                  7.613
 ROA1   Fr= 1--     -84.662                 36.621                -17.822
 CID1   Fr= 1--     -10.966                  1.951                 -2.341
 Raman2 Fr= 1--       2.925                  8.012                  3.261
 ROA2   Fr= 1--     -18.435                  2.946                 -0.475
 CID2   Fr= 1--      -6.303                  0.368                 -0.146
 Raman3 Fr= 1--       5.850                 16.024                  6.523
 ROA3   Fr= 1--     -84.662                 36.621                -17.822
 CID3   Fr= 1--     -14.473                  2.285                 -2.732
 RC180  Fr= 1--       0.515                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.01  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     3   6    -0.02  -0.01   0.02    -0.02  -0.04  -0.02    -0.04   0.02  -0.02
     4   6     0.01  -0.00  -0.00     0.01   0.01   0.00    -0.00   0.01   0.00
     5   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.03   0.04  -0.01     0.02  -0.02  -0.00    -0.01   0.03   0.00
     9   1    -0.05   0.06   0.09    -0.03   0.01   0.02    -0.00  -0.07  -0.07
    10   1    -0.09   0.05  -0.04    -0.03   0.02  -0.01     0.05  -0.06   0.03
    11   1     0.00   0.01   0.00     0.00   0.02   0.01     0.00   0.02   0.00
    12   6    -0.04  -0.00   0.01    -0.01  -0.02   0.02    -0.03   0.02   0.01
    13   6     0.03  -0.01   0.03     0.00  -0.02  -0.03    -0.01   0.02  -0.02
    14   1    -0.11  -0.22  -0.24    -0.23   0.24  -0.23     0.04  -0.44  -0.12
    15   1     0.48  -0.10  -0.01     0.10  -0.07   0.21     0.47  -0.05  -0.18
    16   1     0.19   0.34   0.06     0.29   0.27  -0.19    -0.01   0.18   0.25
    17   1     0.13   0.30  -0.05    -0.36   0.17  -0.01    -0.07  -0.37   0.06
    18   1    -0.19  -0.28   0.01     0.10   0.35   0.38     0.17   0.18  -0.12
    19   1    -0.25   0.12  -0.39     0.34  -0.11   0.06     0.15  -0.08   0.40
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1521.5020              1846.4378              2947.3073
 Red. masses --      1.0887                12.7879                 1.0798
 Frc consts  --      1.4850                25.6874                 5.5266
 IR Inten    --      3.8991               396.9483                32.7322
 RamAct Fr= 1--      5.0724                21.7189                90.0020
  Dep-P Fr= 1--      0.6925                 0.2398                 0.1782
  Dep-U Fr= 1--      0.8183                 0.3868                 0.3025
 Alpha2 Fr= 1--      0.0051                 0.2648                 1.2943
 Beta2  Fr= 1--      0.6918                 1.4002                 4.5372
 AlphaG Fr= 1--      0.0173                -0.2539                -0.5328
 Gamma2 Fr= 1--      0.8384                -1.7737                -1.8785
 Delta2 Fr= 1--     -0.1194                -0.0125                -0.5136
 Raman1 Fr= 1--      20.290                 86.876                360.008
 ROA1   Fr= 1--      76.669               -170.676               -196.773
 CID1   Fr= 1--       3.779                 -1.965                 -0.547
 Raman2 Fr= 1--       8.301                 16.803                 54.446
 ROA2   Fr= 1--      21.078                -42.470                -40.975
 CID2   Fr= 1--       2.539                 -2.528                 -0.753
 Raman3 Fr= 1--      16.603                 33.606                108.893
 ROA3   Fr= 1--      76.669               -170.676               -196.773
 CID3   Fr= 1--       4.618                 -5.079                 -1.807
 RC180  Fr= 1--       0.637                 -0.226                 -0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00     0.80  -0.19  -0.15     0.00   0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.05  -0.03   0.01     0.00   0.00  -0.08
     3   6     0.00   0.00  -0.01    -0.02  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.04  -0.07  -0.02    -0.05   0.02  -0.00    -0.00   0.00   0.00
     5   8     0.01  -0.01  -0.00    -0.03  -0.01   0.01     0.00   0.00  -0.00
     6   8    -0.01   0.00   0.00    -0.50   0.13   0.09    -0.00   0.00   0.00
     7   8     0.00  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
     8   1     0.02  -0.03  -0.00    -0.01   0.01   0.00    -0.06   0.00   0.99
     9   1    -0.27   0.32   0.53     0.00   0.04  -0.05     0.00  -0.00   0.00
    10   1    -0.38   0.51  -0.27     0.08  -0.00   0.04     0.00  -0.00  -0.02
    11   1    -0.00  -0.01  -0.00    -0.00   0.12   0.01     0.01  -0.00  -0.01
    12   6     0.00   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.04  -0.08   0.03     0.00  -0.02  -0.01    -0.00  -0.00   0.00
    15   1    -0.02   0.02  -0.08     0.02  -0.01   0.01     0.00   0.00   0.00
    16   1    -0.07  -0.08   0.03    -0.00   0.01   0.02     0.01  -0.01   0.00
    17   1    -0.06  -0.07   0.01    -0.00  -0.00   0.00    -0.01  -0.00  -0.03
    18   1     0.03   0.05   0.02     0.00   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.04  -0.02   0.10     0.02  -0.00  -0.01     0.00   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3030.2103              3040.7838              3050.0035
 Red. masses --      1.0357                 1.0375                 1.0636
 Frc consts  --      5.6032                 5.6523                 5.8296
 IR Inten    --     19.2854                15.7264                38.7637
 RamAct Fr= 1--     93.3006               151.6979               213.8136
  Dep-P Fr= 1--      0.0115                 0.0193                 0.0463
  Dep-U Fr= 1--      0.0228                 0.0379                 0.0885
 Alpha2 Fr= 1--      2.0181                 3.2221                 4.2606
 Beta2  Fr= 1--      0.3549                 0.9577                 3.1552
 AlphaG Fr= 1--     -0.1437                -0.4308                 1.1024
 Gamma2 Fr= 1--      0.7323                -1.2501                 4.2441
 Delta2 Fr= 1--      0.0623                -0.6066                -3.7581
 Raman1 Fr= 1--     373.203                606.792                855.254
 ROA1   Fr= 1--      72.293               -139.423                287.171
 CID1   Fr= 1--       0.194                 -0.230                  0.336
 Raman2 Fr= 1--       4.259                 11.493                 37.863
 ROA2   Fr= 1--      17.077                -25.151                131.923
 CID2   Fr= 1--       4.010                 -2.188                  3.484
 Raman3 Fr= 1--       8.518                 22.986                 75.726
 ROA3   Fr= 1--      72.293               -139.423                287.171
 CID3   Fr= 1--       8.487                 -6.066                  3.792
 RC180  Fr= 1--      -0.954                 -0.924                 -0.823
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.01    -0.00   0.01   0.01     0.02  -0.04  -0.05
     5   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00  -0.00   0.02     0.00  -0.00   0.01    -0.00  -0.00   0.02
     9   1     0.02  -0.02   0.03     0.03  -0.05   0.06    -0.13   0.22  -0.24
    10   1     0.02  -0.03  -0.10     0.03  -0.04  -0.15    -0.15   0.27   0.85
    11   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.01     0.00  -0.01   0.05    -0.00  -0.00   0.01
    13   6     0.04  -0.00  -0.03     0.01   0.00  -0.01     0.01   0.00  -0.00
    14   1    -0.09  -0.03   0.05     0.51   0.15  -0.31     0.09   0.03  -0.05
    15   1     0.01   0.08   0.01    -0.07  -0.39  -0.05    -0.01  -0.06  -0.01
    16   1     0.10  -0.07   0.04    -0.49   0.34  -0.22    -0.07   0.05  -0.03
    17   1     0.08   0.10   0.58     0.01   0.02   0.11     0.01   0.01   0.06
    18   1    -0.46   0.35  -0.22    -0.07   0.05  -0.03    -0.08   0.06  -0.04
    19   1    -0.11  -0.45  -0.06    -0.02  -0.07  -0.01    -0.02  -0.09  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3090.1686              3099.1547              3103.8952
 Red. masses --      1.1018                 1.1021                 1.1013
 Frc consts  --      6.1992                 6.2369                 6.2514
 IR Inten    --     21.6981                26.7790                15.3657
 RamAct Fr= 1--     49.1080                53.3154                48.1222
  Dep-P Fr= 1--      0.7468                 0.7413                 0.7469
  Dep-U Fr= 1--      0.8551                 0.8515                 0.8551
 Alpha2 Fr= 1--      0.0026                 0.0079                 0.0025
 Beta2  Fr= 1--      6.9985                 7.5660                 6.8583
 AlphaG Fr= 1--      0.0058                 0.0089                -0.0008
 Gamma2 Fr= 1--     -0.1469                -6.1350                -6.1061
 Delta2 Fr= 1--     -0.4740                -1.1659                -5.8500
 Raman1 Fr= 1--     196.432                213.262                192.489
 ROA1   Fr= 1--     -29.271               -626.272               -773.385
 CID1   Fr= 1--      -0.149                 -2.937                 -4.018
 Raman2 Fr= 1--      83.982                 90.792                 82.299
 ROA2   Fr= 1--       0.266               -137.914                -99.746
 CID2   Fr= 1--       0.003                 -1.519                 -1.212
 Raman3 Fr= 1--     167.965                181.584                164.598
 ROA3   Fr= 1--     -29.271               -626.272               -773.385
 CID3   Fr= 1--      -0.174                 -3.449                 -4.699
 RC180  Fr= 1--       0.710                  0.703                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.00   0.02     0.00  -0.00  -0.00    -0.00  -0.00   0.01
     9   1    -0.02   0.03  -0.03    -0.01   0.02  -0.02    -0.03   0.05  -0.05
    10   1    -0.00   0.00   0.01     0.00  -0.01  -0.02     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.01  -0.00  -0.00    -0.09   0.01   0.01     0.01   0.01  -0.00
    13   6    -0.05   0.03  -0.07    -0.01  -0.00  -0.01    -0.01  -0.08  -0.03
    14   1    -0.09  -0.03   0.06     0.58   0.18  -0.37    -0.06  -0.02   0.04
    15   1     0.01   0.03   0.00    -0.02   0.01   0.00    -0.01  -0.07  -0.01
    16   1    -0.07   0.05  -0.03     0.51  -0.37   0.25    -0.02   0.02  -0.01
    17   1     0.07   0.13   0.65     0.01   0.02   0.12     0.05   0.05   0.40
    18   1     0.54  -0.41   0.23     0.07  -0.06   0.03    -0.20   0.13  -0.10
    19   1    -0.04  -0.10  -0.03     0.01   0.05   0.00     0.22   0.83   0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3120.5568              3127.0583              3723.3763
 Red. masses --      1.1028                 1.1000                 1.0656
 Frc consts  --      6.3270                 6.3375                 8.7043
 IR Inten    --     16.1869                14.2538                63.8405
 RamAct Fr= 1--     78.5618                57.3652                64.7142
  Dep-P Fr= 1--      0.4346                 0.7050                 0.1185
  Dep-U Fr= 1--      0.6059                 0.8270                 0.2119
 Alpha2 Fr= 1--      0.5117                 0.0448                 1.0825
 Beta2  Fr= 1--      7.9334                 7.9068                 2.2859
 AlphaG Fr= 1--     -0.1588                 0.0706                 0.4479
 Gamma2 Fr= 1--      3.1820                 8.2253                 2.8916
 Delta2 Fr= 1--      6.9715                 2.5981                 0.3400
 Raman1 Fr= 1--     314.247                229.461                258.857
 ROA1   Fr= 1--     528.559                872.770                288.478
 CID1   Fr= 1--       1.682                  3.804                  1.114
 Raman2 Fr= 1--      95.200                 94.881                 27.431
 ROA2   Fr= 1--      20.595                176.624                 66.679
 CID2   Fr= 1--       0.216                  1.862                  2.431
 Raman3 Fr= 1--     190.400                189.762                 54.863
 ROA3   Fr= 1--     528.559                872.770                288.478
 CID3   Fr= 1--       2.776                  4.599                  5.258
 RC180  Fr= 1--       0.212                  0.654                 -0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02   0.04  -0.08     0.00  -0.01   0.01     0.00   0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06   0.01   0.01
     8   1     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     9   1     0.35  -0.60   0.60    -0.06   0.11  -0.11    -0.00  -0.00   0.00
    10   1    -0.06   0.12   0.31     0.01  -0.02  -0.06    -0.00   0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.97  -0.16  -0.18
    12   6    -0.00  -0.02   0.00    -0.01  -0.09   0.01     0.00   0.00   0.00
    13   6    -0.00  -0.01  -0.01     0.00  -0.01   0.00    -0.00   0.00   0.00
    14   1     0.05   0.01  -0.03     0.22   0.05  -0.13     0.00   0.00  -0.00
    15   1     0.03   0.16   0.03     0.17   0.87   0.13    -0.00  -0.00  -0.00
    16   1    -0.02   0.01  -0.00    -0.24   0.15  -0.11     0.00  -0.00   0.00
    17   1     0.01   0.01   0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   1     0.01  -0.01   0.00    -0.03   0.02  -0.01     0.00  -0.00   0.00
    19   1     0.02   0.06   0.01     0.02   0.06   0.01    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   130.06299 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   745.200861147.531651480.22458
           X            0.99957  -0.02938  -0.00076
           Y            0.02939   0.99953   0.00922
           Z            0.00049  -0.00924   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11623     0.07548     0.05851
 Rotational constants (GHZ):           2.42182     1.57272     1.21923
 Zero-point vibrational energy     415752.2 (Joules/Mol)
                                   99.36716 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    139.61   271.37   306.36   331.27   371.11
          (Kelvin)            375.10   431.24   495.37   515.65   554.60
                              736.86   788.34   809.86   936.74  1038.59
                             1163.77  1287.26  1315.75  1367.33  1394.84
                             1449.10  1476.95  1509.93  1626.49  1698.49
                             1715.97  1763.97  1793.18  1811.72  1888.84
                             1966.89  2007.02  2014.19  2030.71  2065.82
                             2137.43  2148.70  2168.89  2175.50  2189.10
                             2656.61  4240.52  4359.80  4375.01  4388.27
                             4446.06  4458.99  4465.81  4489.79  4499.14
                             5357.11
 
 Zero-point correction=                           0.158352 (Hartree/Particle)
 Thermal correction to Energy=                    0.167336
 Thermal correction to Enthalpy=                  0.168280
 Thermal correction to Gibbs Free Energy=         0.125241
 Sum of electronic and zero-point Energies=           -460.398965
 Sum of electronic and thermal Energies=              -460.389980
 Sum of electronic and thermal Enthalpies=            -460.389036
 Sum of electronic and thermal Free Energies=         -460.432075
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  105.005             34.185             90.583
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.502
 Rotational               0.889              2.981             28.628
 Vibrational            103.228             28.223             21.454
 Vibration     1          0.603              1.951              3.513
 Vibration     2          0.633              1.856              2.241
 Vibration     3          0.644              1.821              2.018
 Vibration     4          0.652              1.795              1.877
 Vibration     5          0.667              1.749              1.676
 Vibration     6          0.669              1.745              1.657
 Vibration     7          0.692              1.674              1.418
 Vibration     8          0.723              1.587              1.192
 Vibration     9          0.733              1.558              1.129
 Vibration    10          0.754              1.501              1.018
 Vibration    11          0.867              1.223              0.628
 Vibration    12          0.903              1.144              0.548
 Vibration    13          0.919              1.112              0.518
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.247195D-57        -57.606960       -132.644927
 Total V=0       0.169699D+16         15.229678         35.067631
 Vib (Bot)       0.105276D-70        -70.977673       -163.432131
 Vib (Bot)    1  0.211618D+01          0.325552          0.749611
 Vib (Bot)    2  0.106166D+01          0.025984          0.059829
 Vib (Bot)    3  0.931674D+00         -0.030736         -0.070772
 Vib (Bot)    4  0.855337D+00         -0.067863         -0.156259
 Vib (Bot)    5  0.753788D+00         -0.122751         -0.282645
 Vib (Bot)    6  0.744748D+00         -0.127991         -0.294709
 Vib (Bot)    7  0.634602D+00         -0.197499         -0.454757
 Vib (Bot)    8  0.537846D+00         -0.269342         -0.620183
 Vib (Bot)    9  0.511972D+00         -0.290754         -0.669486
 Vib (Bot)   10  0.467256D+00         -0.330446         -0.760879
 Vib (Bot)   11  0.317437D+00         -0.498343         -1.147477
 Vib (Bot)   12  0.286982D+00         -0.542146         -1.248337
 Vib (Bot)   13  0.275345D+00         -0.560123         -1.289731
 Vib (V=0)       0.722713D+02          1.858966          4.280426
 Vib (V=0)    1  0.267444D+01          0.427233          0.983741
 Vib (V=0)    2  0.167350D+01          0.223627          0.514920
 Vib (V=0)    3  0.155736D+01          0.192390          0.442994
 Vib (V=0)    4  0.149076D+01          0.173407          0.399285
 Vib (V=0)    5  0.140454D+01          0.147535          0.339711
 Vib (V=0)    6  0.139702D+01          0.145203          0.334343
 Vib (V=0)    7  0.130791D+01          0.116578          0.268431
 Vib (V=0)    8  0.123436D+01          0.091440          0.210549
 Vib (V=0)    9  0.121562D+01          0.084799          0.195256
 Vib (V=0)   10  0.118434D+01          0.073478          0.169190
 Vib (V=0)   11  0.109226D+01          0.038324          0.088244
 Vib (V=0)   12  0.107651D+01          0.032016          0.073720
 Vib (V=0)   13  0.107080D+01          0.029709          0.068408
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.583021D+08          7.765685         17.881149
 Rotational      0.402743D+06          5.605028         12.906055
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                33333333  2                                     1      1111111111111111 1 111                                  
     7                11100000  9                                     8      5554444433322211 1 0009998  8  7 6  555  333322221      
     2                22099543  4                                     4      2109831096154298 3 4206519  0  2 5  641  854065318  9   
     3                71490010  7                                     6      2273661057396631 0 9779045  9  2 1  382  584018039  7   
 
     X                XXXXXXXX  X                                     X      XXXXXXXXXXXXXXXX X XXXXXXX  X  X X  XXX  XXXXXXXXX  X   
     X                     X    X                                     X                 X     X  X                     X             
     X                                                                X                       X  X                     X             
                                                                      X                       X  X                     X             
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                       X                                      
                                                                      X                                                              
                                                                      X                                                              
                                                                      X                                                              
                                                                      X                                                              
                                                                      X                                                              
                                                                      X                                                              
                                                                      X                                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012239   -0.000009178    0.000003171
      2        6           0.000000981    0.000006489   -0.000000218
      3        6           0.000001909    0.000004565    0.000008661
      4        6          -0.000006395    0.000002771    0.000000441
      5        8           0.000009136   -0.000005550   -0.000001346
      6        8           0.000000887    0.000001750    0.000000212
      7        8           0.000000812    0.000002869   -0.000001188
      8        1           0.000002937    0.000000729    0.000000675
      9        1           0.000001086    0.000000457   -0.000001954
     10        1          -0.000004314    0.000004280    0.000002331
     11        1           0.000000390   -0.000002630    0.000000848
     12        6           0.000001448   -0.000005122   -0.000001887
     13        6           0.000001857   -0.000006042    0.000002440
     14        1           0.000004992    0.000004294    0.000000736
     15        1          -0.000004988    0.000002745   -0.000004991
     16        1          -0.000000877    0.000001391    0.000001122
     17        1           0.000001996    0.000000374   -0.000003987
     18        1          -0.000004236   -0.000002051   -0.000001834
     19        1           0.000004618   -0.000002138   -0.000003234
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012239 RMS     0.000003964
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.942366D+02 -0.432394D+01 -0.185410D+01
      2  -0.432394D+01  0.823274D+02  0.769328D+00
      3  -0.185410D+01  0.769328D+00  0.744922D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.105928D+01 -0.148171D+01 -0.103839D+01
      2   0.375683D+01  0.109177D+01  0.354981D+02
      3  -0.141077D+02 -0.179263D+02 -0.239537D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.340832D+02  0.139058D+02  0.455831D+01
      2  -0.205641D+02 -0.697738D+01 -0.127250D+01
      3  -0.135191D+02 -0.692837D+01 -0.328580D+01
      4   0.284341D+01  0.493872D+02  0.887571D+00
      5   0.742816D+01  0.893797D+00  0.822232D+02
      6  -0.898420D-01  0.406232D+01 -0.275545D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.753680D+01 -0.233367D+01 -0.497770D+00 -0.183086D+01 -0.159535D+01
      2  -0.233367D+01  0.831272D+00  0.640083D-02 -0.159535D+01  0.559454D+00
      3  -0.497770D+00  0.640083D-02 -0.763769D-01  0.213248D+00  0.781843D-01
                 6             7             8             9            10 
      1   0.213248D+00 -0.158246D+01 -0.341982D-01  0.214206D+00 -0.318124D+01
      2   0.781843D-01 -0.341982D-01 -0.620529D+00 -0.198477D+00  0.226820D+01
      3  -0.711247D+00  0.214206D+00 -0.198477D+00 -0.802633D+00 -0.110001D+01
                11            12            13            14            15 
      1   0.226820D+01 -0.110001D+01  0.293406D+01  0.490445D+00 -0.173077D+00
      2  -0.510699D-01  0.386960D-01  0.490445D+00 -0.114765D+01 -0.541283D-02
      3   0.386960D-01 -0.790231D+00 -0.173077D+00 -0.541283D-02  0.206962D+01
                16            17            18            19            20 
      1  -0.616520D+00  0.714647D+00 -0.819287D+00  0.224871D+01 -0.179201D+01
      2   0.714647D+00 -0.804555D+00  0.960323D+00 -0.179201D+01  0.297177D+01
      3  -0.819287D+00  0.960323D+00  0.741827D+01  0.324700D+01  0.146261D+00
                21            22            23            24            25 
      1   0.324700D+01 -0.195370D+01  0.258589D+01 -0.148348D+00  0.366051D+01
      2   0.146261D+00  0.258589D+01  0.297594D+01  0.143233D+01 -0.182838D-01
      3  -0.555439D+00 -0.148348D+00  0.143233D+01 -0.183621D+01 -0.440336D+00
                26            27            28            29            30 
      1  -0.182838D-01 -0.440336D+00  0.193106D+01  0.587583D+00 -0.112593D+01
      2   0.108743D+01 -0.176073D+01  0.587583D+00 -0.277375D+01 -0.149692D+00
      3  -0.176073D+01 -0.634832D+01 -0.112593D+01 -0.149692D+00 -0.245985D+01
                31            32            33            34            35 
      1   0.301042D-01 -0.263022D+01  0.469412D+00 -0.934673D+00  0.215211D+00
      2  -0.263022D+01 -0.718349D+00 -0.132945D+01  0.215211D+00 -0.123362D+01
      3   0.469412D+00 -0.132945D+01  0.245415D+01 -0.171565D+01  0.381160D+01
                36            37            38            39            40 
      1  -0.171565D+01 -0.344800D+01 -0.244672D+01  0.284367D+00 -0.182366D+01
      2   0.381160D+01 -0.244672D+01 -0.835795D+00  0.314850D+00 -0.176626D+00
      3   0.386430D+01  0.284367D+00  0.314850D+00  0.682685D+00 -0.212496D+00
                41            42            43            44            45 
      1  -0.176626D+00 -0.212496D+00  0.600875D+00  0.233282D+00 -0.488680D+00
      2  -0.564938D+01  0.469338D+00  0.233282D+00  0.594066D+00 -0.159270D+01
      3   0.469338D+00 -0.891359D+00 -0.488680D+00 -0.159270D+01  0.656487D+00
                46            47            48            49            50 
      1  -0.173258D+02  0.254932D+01  0.918579D+00  0.202762D+01 -0.291103D+01
      2   0.254932D+01 -0.363440D+01 -0.108133D+00 -0.291103D+01  0.248935D+01
      3   0.918579D+00 -0.108133D+00 -0.182881D+01 -0.162037D+00  0.313099D+00
                51            52            53            54            55 
      1  -0.162037D+00  0.205898D+01 -0.223418D+00 -0.366445D+01  0.386144D+01
      2   0.313099D+00 -0.223418D+00  0.714658D+00  0.750923D+00 -0.252254D+00
      3   0.851500D+00 -0.366445D+01  0.750923D+00  0.122897D+01  0.733815D-01
                56            57            58            59            60 
      1  -0.252254D+00  0.733815D-01 -0.242728D+00 -0.157814D-02  0.413835D+00
      2   0.375575D+01  0.229316D+00 -0.157814D-02  0.595095D+01 -0.562459D+00
      3   0.229316D+00  0.117711D+01  0.413835D+00 -0.562459D+00 -0.475143D+00
                61            62            63            64            65 
      1  -0.744120D+00 -0.108756D-01  0.373801D+00  0.857612D+00 -0.371109D+00
      2  -0.108756D-01 -0.613704D-01  0.972569D+00 -0.371109D+00 -0.132145D+00
      3   0.373801D+00  0.972569D+00 -0.399412D+00 -0.106290D+01  0.619658D-01
                66            67            68            69            70 
      1  -0.106290D+01 -0.544338D+00 -0.202411D+00  0.320650D-01 -0.188015D+01
      2   0.619658D-01 -0.202411D+00  0.442095D+00 -0.123328D+01  0.425782D-01
      3   0.368270D+00  0.320650D-01 -0.123328D+01 -0.203916D+00  0.155731D+00
                71            72            73            74            75 
      1   0.425782D-01  0.155731D+00  0.176427D+01 -0.169625D+01  0.114161D+01
      2  -0.177705D+01  0.308834D+00 -0.169625D+01  0.240252D+01 -0.718721D+00
      3   0.308834D+00 -0.938803D+01  0.114161D+01 -0.718721D+00  0.111709D+01
                76            77            78            79            80 
      1  -0.155564D+01  0.192346D+01 -0.542301D+00  0.164627D+01 -0.100048D+01
      2   0.192346D+01 -0.538756D+01  0.183932D+01 -0.100048D+01  0.342903D+01
      3  -0.542301D+00  0.183932D+01 -0.181192D+01  0.123471D+01 -0.242975D+01
                81            82            83            84            85 
      1   0.123471D+01  0.725301D+00 -0.820217D+00 -0.129073D+01 -0.565008D+00
      2  -0.242975D+01 -0.820217D+00  0.848028D+00  0.516942D+00  0.983612D+00
      3   0.193033D+01 -0.129073D+01  0.516942D+00  0.104741D+01  0.245674D+00
                86            87            88            89            90 
      1   0.983612D+00  0.245674D+00 -0.226941D+01  0.508110D+00  0.144824D+01
      2  -0.250790D+01 -0.168423D+01  0.508110D+00 -0.308309D+01 -0.355902D+01
      3  -0.168423D+01 -0.187248D+01  0.144824D+01 -0.355902D+01 -0.636105D+01
                91            92            93            94            95 
      1  -0.473464D+01  0.212450D+01  0.419695D+00  0.160946D+01 -0.130071D+01
      2   0.212450D+01 -0.445305D+01 -0.280079D+00 -0.130071D+01  0.169796D+01
      3   0.419695D+00 -0.280079D+00 -0.128723D+01 -0.199521D+00  0.120191D+00
                96            97            98            99           100 
      1  -0.199521D+00  0.945155D+00 -0.338594D+00 -0.543113D+00 -0.131541D-01
      2   0.120191D+00 -0.338594D+00  0.872468D+00  0.720943D+00  0.257801D+01
      3   0.576192D+00 -0.543113D+00  0.720943D+00  0.452174D+00 -0.429389D+01
               101           102           103           104           105 
      1   0.257801D+01 -0.429389D+01  0.280845D+01 -0.255963D+01  0.402689D+00
      2  -0.201334D+01  0.390888D+00 -0.255963D+01 -0.421343D+01 -0.246345D+01
      3   0.390888D+00  0.131866D+01  0.402689D+00 -0.246345D+01  0.184273D+01
               106           107           108           109           110 
      1  -0.392359D+01  0.212632D+00  0.111207D+01 -0.148704D+01  0.243767D+01
      2   0.212632D+00 -0.126235D+01  0.163179D+01  0.243767D+01 -0.298659D+01
      3   0.111207D+01  0.163179D+01  0.339074D+01 -0.298986D+01  0.282555D+00
               111           112           113           114           115 
      1  -0.298986D+01  0.263899D+01 -0.355425D+01  0.270175D+00 -0.320214D+01
      2   0.282555D+00 -0.355425D+01 -0.419596D+01 -0.922127D+00  0.286323D+00
      3   0.130947D+01  0.270175D+00 -0.922127D+00  0.170834D+01  0.520440D+00
               116           117           118           119           120 
      1   0.286323D+00  0.520440D+00 -0.377829D+01 -0.796832D+00  0.227653D+01
      2  -0.101038D+01  0.152040D+01 -0.796832D+00 -0.919550D+00  0.235115D+00
      3   0.152040D+01  0.658352D+01  0.227653D+01  0.235115D+00 -0.377179D+01
               121           122           123           124           125 
      1  -0.965450D+00 -0.462166D+00  0.343273D+00  0.211740D+01  0.215832D+00
      2  -0.462166D+00 -0.110727D+00  0.964229D+00  0.215832D+00  0.871443D+00
      3   0.343273D+00  0.964229D+00 -0.119546D+01 -0.191070D+01 -0.575897D+00
               126           127           128           129           130 
      1  -0.191070D+01  0.807904D+00  0.843747D+00  0.829893D+00  0.162885D+01
      2  -0.575897D+00  0.843747D+00  0.118715D+01  0.354107D+00  0.166365D+01
      3   0.357138D+01  0.829893D+00  0.354107D+00  0.289012D+00  0.818825D+00
               131           132           133           134           135 
      1   0.166365D+01  0.818825D+00  0.585047D+00  0.275902D+00  0.243238D+00
      2   0.641023D+01  0.228703D+01  0.275902D+00  0.126928D+01  0.105057D+01
      3   0.228703D+01  0.259902D+01  0.243238D+00  0.105057D+01  0.843537D+00
               136           137           138           139           140 
      1   0.480002D+01 -0.169906D+01  0.282518D+01 -0.255940D+01  0.173424D+01
      2  -0.169906D+01  0.180601D+01 -0.869651D+00  0.173424D+01 -0.149099D+01
      3   0.282518D+01 -0.869651D+00  0.265904D+01 -0.132562D+01  0.140604D+01
               141           142           143           144           145 
      1  -0.132562D+01  0.192670D+01 -0.642305D+00  0.160195D+01 -0.150161D+00
      2   0.140604D+01 -0.642305D+00  0.869784D+00 -0.101417D+01 -0.355980D+00
      3  -0.220239D+01  0.160195D+01 -0.101417D+01  0.212467D+01 -0.554943D+00
               146           147           148           149           150 
      1  -0.355980D+00 -0.554943D+00 -0.725035D+00  0.488700D+00  0.170508D+00
      2   0.530252D-01 -0.487742D-01  0.488700D+00 -0.246695D-01 -0.952664D+00
      3  -0.487742D-01 -0.553047D+00  0.170508D+00 -0.952664D+00 -0.115707D+01
               151           152           153           154           155 
      1  -0.183899D+01 -0.619200D-01  0.136140D+01  0.744293D+01 -0.223517D+01
      2  -0.619200D-01 -0.125137D+01 -0.606080D+00 -0.223517D+01  0.204939D+01
      3   0.136140D+01 -0.606080D+00 -0.868195D+01  0.736712D+00 -0.313488D+00
               156           157           158           159           160 
      1   0.736712D+00 -0.401213D+01  0.238888D+01 -0.187553D+00  0.254878D+01
      2  -0.313488D+00  0.238888D+01 -0.168012D+01  0.387822D+00 -0.536497D+00
      3   0.109146D+01 -0.187553D+00  0.387822D+00 -0.113094D+01  0.939441D+00
               161           162           163           164           165 
      1  -0.536497D+00  0.939441D+00  0.214234D+01  0.141024D+01  0.163087D+00
      2   0.849965D+00 -0.661517D+00  0.141024D+01  0.189475D+01 -0.885586D-01
      3  -0.661517D+00  0.320389D+00  0.163087D+00 -0.885586D-01  0.262555D+00
               166           167           168           169           170 
      1   0.310042D+01  0.313511D+01 -0.428755D+00  0.902338D+00  0.162059D+00
      2   0.313511D+01  0.660076D+01 -0.144515D+00  0.162059D+00  0.546171D+00
      3  -0.428755D+00 -0.144515D+00  0.138659D+01  0.376991D+00  0.670401D+00
               171 
      1   0.376991D+00
      2   0.670401D+00
      3  -0.403384D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.127942D+01  0.423170D+01 -0.101382D+01  0.286864D+01  0.180965D+01
      2  -0.177525D+01 -0.277532D+01 -0.102484D+02 -0.227171D+01 -0.751290D+00
      3  -0.903885D+00  0.100062D+02  0.794373D+00 -0.300223D+00 -0.302036D+01
                 6             7             8             9            10 
      1   0.474298D+01  0.697279D+00  0.127419D+02 -0.184808D+01  0.444490D+00
      2   0.294146D+01 -0.135684D+02 -0.341952D+01  0.354399D+01 -0.357125D+01
      3  -0.155750D+01  0.279490D+01 -0.609677D+01  0.550934D+00  0.152657D+01
                11            12            13            14            15 
      1  -0.102731D+01 -0.282343D+01 -0.180803D+01 -0.374176D-02 -0.329251D+00
      2   0.206793D+01  0.138575D+01  0.397643D+01  0.284427D+00  0.365232D+01
      3  -0.334969D+01 -0.491847D+00  0.628873D+01 -0.762448D+00  0.110246D+01
                16            17            18            19            20 
      1  -0.125554D+01  0.170067D+01 -0.922434D+00 -0.646073D+00 -0.249349D+00
      2  -0.219117D+01  0.512264D+00 -0.465093D+01  0.805960D+01 -0.183236D+00
      3  -0.493886D+00  0.264900D+01 -0.173929D+01  0.254851D+01 -0.800821D+01
                21            22            23            24            25 
      1   0.748013D+00 -0.466007D+00  0.578299D+00 -0.591934D+01  0.411190D+00
      2   0.398888D+01 -0.702493D+00  0.186685D+01 -0.247740D+01 -0.462618D+01
      3  -0.370069D-01 -0.971750D-01 -0.568928D+01 -0.258054D+01  0.666631D+00
                26            27            28            29            30 
      1   0.222568D+01 -0.113554D+01  0.188708D+00  0.211488D+01 -0.445932D+01
      2  -0.234743D+01 -0.415534D+01 -0.185248D+01  0.554435D+00 -0.275000D+01
      3  -0.233164D+01  0.177602D+01 -0.970552D+01  0.125448D+01  0.722142D+00
                31            32            33            34            35 
      1   0.323140D+01 -0.363439D+01  0.576014D+01 -0.303708D+01  0.122625D+02
      2  -0.387774D+00 -0.250393D+01  0.203197D+01 -0.656201D+01  0.525940D+01
      3   0.382652D+01  0.534347D+01  0.160385D+01 -0.505193D-01  0.144995D+01
                36            37            38            39            40 
      1   0.645898D+01 -0.535586D+00 -0.170958D+01 -0.295809D+00  0.121030D+01
      2   0.285276D+01 -0.280686D+00  0.139146D+01  0.643747D+01  0.794682D+00
      3   0.126473D+01  0.863845D+01 -0.247755D+01 -0.959279D+00  0.120774D+02
                41            42            43            44            45 
      1   0.181150D+01 -0.698756D+01 -0.444601D+01 -0.179483D+01  0.186327D+01
      2  -0.401810D+00 -0.696999D+00 -0.336803D+01  0.385294D+01 -0.144669D+01
      3  -0.513266D+01 -0.817098D-01 -0.329009D+01  0.409549D+00 -0.563510D+00
                46            47            48            49            50 
      1   0.152161D+01 -0.113573D+01  0.149818D+01 -0.101696D+01 -0.356598D+00
      2  -0.314437D+01  0.108169D+00  0.144030D+02  0.112905D+01 -0.536434D+00
      3   0.852518D+01 -0.209665D+02 -0.432458D+00 -0.202742D+01  0.939642D+01
                51            52            53            54            55 
      1  -0.354003D+01 -0.174512D+01  0.632305D+00  0.590592D+00  0.125365D+01
      2  -0.233771D+01  0.474625D+01  0.888666D+00 -0.436543D+01 -0.321813D+00
      3   0.681544D+00 -0.524089D+00  0.466915D+01  0.268619D+01  0.132109D+02
                56            57            58            59            60 
      1  -0.129039D+01 -0.219107D+01  0.246132D-01 -0.267328D+01 -0.689709D+01
      2   0.982819D+00  0.103577D+01 -0.707768D+00 -0.620314D+00 -0.120962D+01
      3   0.156947D+00 -0.984006D+00  0.600360D+01  0.383605D+01  0.210327D+00
                61            62            63            64            65 
      1  -0.517674D+00  0.231826D+01 -0.193041D+01  0.180437D+00 -0.122367D+00
      2  -0.378099D+01  0.488376D+00 -0.710840D-01  0.226273D+01 -0.340227D+00
      3  -0.141666D+01  0.235399D-01  0.166166D+01  0.631936D+00 -0.100843D+01
                66            67            68            69            70 
      1   0.369418D+00 -0.426832D+00  0.528773D+00  0.400317D+00 -0.482797D+00
      2  -0.121329D+00 -0.110762D+01  0.429667D+00 -0.114966D+00 -0.496517D+01
      3  -0.468966D+00  0.332556D+00  0.973536D-01 -0.388618D+00 -0.873401D+00
                71            72            73            74            75 
      1   0.413922D+01  0.409103D+01  0.276984D+01 -0.167107D+01  0.306481D+01
      2   0.376736D+00  0.338193D+01  0.889074D+00 -0.784211D+00  0.216898D+01
      3  -0.779284D+00  0.688807D+00 -0.281496D+01 -0.221782D+00 -0.181303D+01
                76            77            78            79            80 
      1  -0.190503D+01  0.440026D+01 -0.565064D+01  0.302268D+01 -0.357422D+01
      2   0.237390D+00  0.182337D+01 -0.213404D+01 -0.732051D-01 -0.227774D+01
      3   0.446601D+01 -0.747659D+00 -0.113116D+00 -0.399621D+01 -0.116021D+01
                81            82            83            84            85 
      1   0.558862D+01 -0.241808D+01 -0.659481D-02  0.210622D+01 -0.247765D+00
      2   0.214701D+01  0.928747D-01 -0.155012D+00  0.774518D+00 -0.579596D+00
      3  -0.100689D+01 -0.148541D+01 -0.545171D+00  0.230153D+01  0.148636D+01
                86            87            88            89            90 
      1  -0.160539D+01 -0.437703D+01  0.331434D+01 -0.254503D+01 -0.115123D+02
      2  -0.730849D+00 -0.155296D+01 -0.238500D+01 -0.254994D+01 -0.448219D+01
      3  -0.112387D+01  0.371806D+00  0.566353D+01  0.114386D+01 -0.152305D+01
                91            92            93            94            95 
      1  -0.217740D+01  0.139658D+01  0.330081D+01  0.389456D+00 -0.920561D+00
      2  -0.222036D+00  0.471944D-01  0.220124D+01  0.835972D-01  0.168831D+00
      3  -0.136296D+02 -0.225847D+01  0.139751D+01  0.152312D+01 -0.295340D+01
                96            97            98            99           100 
      1  -0.146172D+01  0.711271D+00 -0.575852D+00 -0.127018D+01  0.598398D+01
      2  -0.769487D+00 -0.487423D+00 -0.896303D+00 -0.415082D+00 -0.594758D+01
      3  -0.161229D+00  0.231480D+01 -0.262448D+00 -0.303419D+00 -0.324802D+01
               101           102           103           104           105 
      1  -0.417406D+01 -0.284060D+00 -0.521359D+01 -0.873473D+01 -0.855700D+01
      2  -0.436201D+01  0.140088D+02 -0.448755D+01  0.134945D+01  0.168455D+01
      3   0.173100D+01 -0.215368D+01  0.667281D+01  0.516625D+01  0.316603D+01
               106           107           108           109           110 
      1   0.537729D+00 -0.226782D+01  0.313035D+01 -0.126712D+01  0.300264D+01
      2   0.681825D+01  0.161087D+01  0.115799D+01 -0.104747D+02  0.270415D+01
      3  -0.153899D+01  0.230772D+01 -0.184427D+01 -0.723629D+01  0.696837D+01
               111           112           113           114           115 
      1  -0.593534D+00  0.399952D+01  0.450085D+01 -0.161878D+01  0.189070D+00
      2   0.142391D+01  0.312070D+01 -0.560655D+01  0.452196D+01 -0.463066D+01
      3  -0.138911D+01  0.154343D+02  0.111433D+02  0.165041D+01 -0.197556D+01
               116           117           118           119           120 
      1   0.202247D+01 -0.350131D+01 -0.215426D+01 -0.308094D+01  0.876428D+00
      2   0.381158D+01  0.183908D+02  0.127181D+02  0.233265D+01 -0.611675D+01
      3   0.282213D+01 -0.403445D+01 -0.179893D+00 -0.811475D+00  0.308181D+00
               121           122           123           124           125 
      1  -0.120312D+01 -0.678547D+00  0.679720D+00  0.113054D+01  0.317432D+01
      2   0.293160D+01  0.194359D+01 -0.158118D+01 -0.820123D+01 -0.116165D+01
      3   0.120245D+01 -0.101593D+00 -0.869323D+00  0.226703D-02 -0.583541D-01
               126           127           128           129           130 
      1  -0.171235D+01  0.115099D+01  0.207885D+01  0.199986D+00  0.233167D+01
      2   0.668456D+01  0.248878D+00 -0.708967D+00  0.204496D+00 -0.248616D+01
      3   0.305258D-01 -0.554947D+00 -0.203211D+01 -0.358789D+00  0.106259D+01
               131           132           133           134           135 
      1   0.126052D+02  0.147202D+00  0.720600D+00  0.297709D+01  0.153314D+01
      2   0.582268D+00  0.286210D+01 -0.157150D+01  0.803978D+00  0.701732D+00
      3  -0.910617D+01 -0.259688D+01 -0.682366D-01 -0.166404D+01 -0.161505D+01
               136           137           138           139           140 
      1  -0.390347D+01  0.472396D+01 -0.115738D+01  0.314037D+01 -0.362824D+01
      2  -0.524839D+01  0.214841D+01  0.138092D+01  0.358890D+01 -0.114648D+01
      3   0.229679D+01 -0.467737D+01  0.157402D+01 -0.130050D+01  0.315952D+01
               141           142           143           144           145 
      1   0.110846D+01 -0.165279D+01  0.308223D+01 -0.196632D+01  0.528430D+00
      2  -0.151620D+01 -0.312784D+01 -0.494502D-01  0.543815D+00 -0.243331D+01
      3  -0.190055D+01  0.932451D+00 -0.187821D+01  0.174079D+01  0.884135D+00
               146           147           148           149           150 
      1   0.270049D+00  0.679110D-02 -0.226360D+00  0.626115D+00  0.129969D+00
      2  -0.419028D+00 -0.487380D+00 -0.889781D+00 -0.160981D+01 -0.276733D+01
      3  -0.874653D+00 -0.592627D-01 -0.222258D+00  0.251535D+00  0.201044D+01
               151           152           153           154           155 
      1  -0.295627D-01  0.435553D+01  0.264086D+01  0.180648D+01 -0.150138D+01
      2  -0.242817D+01 -0.191313D+01 -0.207757D+02  0.802434D+01 -0.309526D+01
      3   0.129473D+00  0.334032D+01  0.182878D+01  0.664116D+01 -0.821851D+01
               156           157           158           159           160 
      1   0.100370D+01 -0.155284D+01  0.995655D+00 -0.167922D+01  0.281640D+00
      2   0.589049D+01 -0.360363D+01  0.310578D+01 -0.459602D+01  0.286682D+01
      3   0.118637D+01 -0.499564D+01  0.584991D+01 -0.136465D+01  0.143142D+01
               161           162           163           164           165 
      1   0.217667D+00  0.866906D+00 -0.144720D+01 -0.184989D+01 -0.355924D+00
      2  -0.223413D+01  0.234224D+01  0.204833D+01  0.871085D+00  0.166550D+01
      3  -0.305235D+01  0.190254D+01 -0.298411D+01 -0.582944D+01  0.478323D+00
               166           167           168           169           170 
      1  -0.220152D+01 -0.600590D+01 -0.319695D+01 -0.106932D-01  0.701749D-01
      2   0.136175D+01  0.235324D+01  0.405955D+01  0.417339D+00  0.140670D+01
      3  -0.431491D+01 -0.177686D+02 -0.109693D+00  0.292174D+00 -0.153190D+01
               171 
      1  -0.579816D+00
      2  -0.457407D+00
      3  -0.150104D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.511938D+02 -0.807139D+00  0.115369D+01  0.139324D+02  0.107877D+02
      2   0.291008D+02  0.487765D+01 -0.416616D+01 -0.938826D+01 -0.131819D+02
      3   0.220930D+02 -0.407051D+01  0.301247D+01 -0.454415D+01  0.239423D+01
      4   0.100098D+02 -0.142770D+02  0.317833D+00  0.768381D+00  0.743222D+01
      5   0.279130D+01  0.103305D+01 -0.146412D+02 -0.111130D+01  0.205065D+00
      6  -0.157312D+00 -0.715464D+00  0.441516D+01 -0.117456D+00 -0.501038D+00
                 6             7             8             9            10 
      1  -0.245310D+01  0.973649D+01 -0.188581D+01 -0.616060D+01 -0.122240D+01
      2   0.599358D+00 -0.693548D+01 -0.335517D-01 -0.412684D+01  0.532559D+01
      3   0.185374D+01 -0.280102D+01  0.191936D+01  0.102874D+02 -0.410319D+01
      4   0.490343D+00 -0.790810D+00  0.370286D+01  0.105163D+01 -0.180076D+01
      5   0.923181D+01  0.489073D+01 -0.343066D+00  0.658297D+01 -0.196164D+01
      6  -0.530608D+01  0.813169D+00  0.242839D+01  0.117037D+01 -0.147711D+00
                11            12            13            14            15 
      1  -0.176916D+01 -0.739305D+00  0.742091D+01  0.187277D+00  0.170808D+01
      2   0.370710D+01 -0.207679D+00 -0.376243D+01 -0.512688D+01  0.665149D+01
      3  -0.193795D+01  0.946984D+00 -0.365848D+01  0.493961D+01 -0.835957D+01
      4   0.359304D+00 -0.152077D+00 -0.430657D+01  0.848201D+00 -0.173156D+01
      5  -0.187979D+01  0.770443D+00 -0.232221D+01 -0.339903D+00  0.435920D+01
      6  -0.152316D+01  0.251762D+01 -0.137210D+01  0.132233D+01 -0.338515D+01
                16            17            18            19            20 
      1  -0.735683D+01  0.384523D+00  0.137605D+02 -0.211879D+01 -0.262587D+01
      2   0.218935D+01 -0.328433D+01  0.162144D+02 -0.414969D+01 -0.191774D+01
      3   0.516748D+01  0.289980D+01 -0.299749D+02  0.626849D+01  0.454361D+01
      4  -0.174080D+01 -0.102812D+01 -0.362702D+01 -0.413554D+01  0.502446D+01
      5   0.270812D+00 -0.163737D+01 -0.139275D+01  0.137895D+02  0.147216D+01
      6  -0.332090D+01  0.159395D+01  0.655543D+01  0.206080D+00  0.284705D+01
                21            22            23            24            25 
      1   0.927115D+01 -0.839941D+01  0.101213D+02  0.125906D+01  0.138029D+02
      2  -0.409281D+01  0.505302D+01 -0.887968D+01 -0.147403D+00 -0.559830D+01
      3  -0.517834D+01  0.334639D+01 -0.124167D+01 -0.111165D+01 -0.820458D+01
      4   0.137515D+00  0.930106D+01  0.678996D+01  0.188508D+01  0.261531D+00
      5  -0.191309D+01  0.864433D+00  0.172594D+01 -0.475844D+01 -0.214433D+01
      6  -0.264791D+01  0.178302D+01 -0.292746D+01  0.436821D+01 -0.283862D+01
                26            27            28            29            30 
      1   0.211049D+00 -0.566798D+01 -0.672697D+00 -0.809123D+01 -0.324468D+01
      2   0.627309D+00  0.426288D+01  0.593422D+00  0.128773D+02 -0.117961D+01
      3  -0.838358D+00  0.140510D+01  0.792753D-01 -0.478603D+01  0.442429D+01
      4   0.146942D+01 -0.531025D+01 -0.251799D+01 -0.144403D+02  0.236718D+01
      5  -0.466610D+01 -0.123863D+02 -0.414074D+01  0.100357D+01 -0.706689D+01
      6   0.323381D+01 -0.126039D+01  0.647748D+00 -0.964523D+00  0.997647D+01
                31            32            33            34            35 
      1  -0.458666D+01 -0.193156D+01  0.484020D+00 -0.299736D+01  0.156636D+01
      2   0.766033D+01  0.204449D+01  0.663896D+01 -0.207544D+01  0.741130D+01
      3  -0.307366D+01 -0.112926D+00 -0.712298D+01  0.507280D+01 -0.897765D+01
      4  -0.681667D+01  0.578235D+01 -0.294778D+01  0.244747D+01 -0.247055D+01
      5   0.461877D+00 -0.169933D+01  0.387518D+01 -0.467883D+01  0.864207D+01
      6  -0.316417D+01  0.825942D+01 -0.123814D+02  0.952536D+01 -0.177303D+02
                36            37            38            39            40 
      1   0.120062D+02  0.596094D+01  0.438137D+01  0.112837D+01 -0.324668D+01
      2  -0.990966D+01  0.119322D+01 -0.197334D+01  0.930345D+00  0.384919D+01
      3  -0.209657D+01 -0.715416D+01 -0.240803D+01 -0.205871D+01 -0.602512D+00
      4   0.115312D+02  0.974589D+01  0.193927D+02 -0.880027D+00  0.108855D+02
      5   0.749479D+01  0.129938D+01  0.432179D+00  0.939463D+01  0.703070D+00
      6  -0.130207D+02  0.897707D+00 -0.136279D+01 -0.144175D+01  0.446867D+00
                41            42            43            44            45 
      1  -0.178089D+02  0.148370D+01 -0.128917D+00  0.623555D+00 -0.501413D+01
      2   0.283136D+02 -0.748102D+00  0.315397D+00 -0.169343D+00  0.340043D+01
      3  -0.105047D+02 -0.735601D+00 -0.186480D+00 -0.454212D+00  0.161370D+01
      4   0.896991D+01 -0.852682D+00 -0.867384D+00 -0.150217D+01  0.568776D+01
      5   0.108529D+01 -0.270469D+01  0.332554D+01  0.426639D+01 -0.190737D+01
      6  -0.262117D+00  0.107396D+02  0.162979D+01  0.939823D+01 -0.210892D+01
                46            47            48            49            50 
      1   0.100245D+03 -0.894265D+01 -0.365030D+01 -0.115916D+02  0.754870D+01
      2  -0.573314D+02  0.456015D+01  0.318985D+01  0.688894D+01  0.372515D+00
      3  -0.429131D+02  0.438249D+01  0.460448D+00  0.470264D+01 -0.792121D+01
      4  -0.768634D+01  0.239599D+02  0.271593D+00  0.209096D+02 -0.890069D+01
      5  -0.237472D+01 -0.137838D+00  0.237740D+02  0.113858D+01 -0.108568D+01
      6   0.139085D+00  0.749220D+00 -0.256008D+01 -0.804199D+00 -0.341743D+00
                51            52            53            54            55 
      1   0.928814D+00 -0.867679D+01  0.140120D+01  0.131163D+02 -0.111726D+01
      2  -0.441977D+00  0.632782D+01 -0.182673D-01 -0.116918D+02 -0.887896D+00
      3  -0.486836D+00  0.234897D+01 -0.138293D+01 -0.142452D+01  0.200516D+01
      4  -0.212506D+01  0.153477D+01 -0.358034D+01 -0.112674D+01  0.151443D+02
      5  -0.538408D+01  0.242790D+02 -0.349914D+01 -0.758579D+01  0.490165D+00
      6   0.523019D+01 -0.243559D+00  0.448523D+01  0.434499D-02 -0.165018D+01
                56            57            58            59            60 
      1  -0.418298D+01  0.811330D+00 -0.269224D+01 -0.237143D+02 -0.148479D+01
      2   0.849873D+01  0.890172D+00  0.210486D+01  0.373334D+02 -0.517806D+01
      3  -0.431575D+01 -0.170150D+01  0.587385D+00 -0.136191D+02  0.666285D+01
      4  -0.481922D+01 -0.172155D+01  0.480820D+01 -0.293962D+01  0.176187D+01
      5  -0.992439D+00  0.285548D+01  0.667038D+00  0.339258D+00 -0.261388D+01
      6   0.419713D+00  0.200831D+01  0.162348D+01 -0.295969D+01  0.111060D+02
                61            62            63            64            65 
      1   0.304211D+00 -0.473624D+00 -0.663038D+01 -0.184690D+00  0.983155D+00
      2   0.615592D+00  0.272910D+01  0.591112D+00 -0.422307D+01 -0.403397D+00
      3  -0.919803D+00 -0.225548D+01  0.603927D+01  0.440776D+01 -0.579758D+00
      4  -0.147219D+01  0.168228D+01  0.460552D+00  0.112963D+01  0.206520D+01
      5   0.288038D+01 -0.103305D+01  0.479674D-01  0.309927D+00 -0.258624D+00
      6   0.844886D+00  0.858649D+01  0.132912D+00 -0.135146D+01  0.147491D+00
                66            67            68            69            70 
      1   0.521104D+00 -0.348774D-02 -0.377267D+01  0.645136D+00  0.143330D+01
      2   0.126104D+00  0.466434D+00  0.570980D+00 -0.308126D+01  0.581306D+00
      3  -0.647208D+00 -0.462947D+00  0.320169D+01  0.243612D+01 -0.201461D+01
      4  -0.148171D+01  0.180920D+01  0.359137D-01  0.538221D+00 -0.154426D+01
      5   0.673332D+01  0.413011D+00  0.323157D+00 -0.431890D-01  0.604779D+01
      6  -0.104283D+00  0.101952D+00 -0.157688D+01  0.663277D+01  0.762297D+00
                71            72            73            74            75 
      1   0.309235D+01 -0.208042D+02  0.104022D+01  0.289981D+01 -0.372675D+00
      2  -0.295087D+01 -0.206284D+02  0.416858D+01 -0.919045D+01  0.186667D+01
      3  -0.141481D+00  0.414325D+02 -0.520879D+01  0.629063D+01 -0.149400D+01
      4   0.160308D+01  0.169613D+01 -0.949247D+01  0.132467D+02 -0.553621D+01
      5   0.260488D+00  0.402642D+01  0.341746D+01 -0.308416D+01  0.405868D+01
      6   0.630133D+01 -0.109205D+02 -0.565373D+01  0.440130D+01 -0.496183D+01
                76            77            78            79            80 
      1   0.357554D+01 -0.145962D+02  0.485188D+01 -0.278619D+00  0.869812D+01
      2  -0.792932D+01  0.273499D+02 -0.878076D+01  0.232593D+01 -0.149554D+02
      3   0.435378D+01 -0.127537D+02  0.392888D+01 -0.204732D+01  0.625728D+01
      4   0.981762D+01 -0.138698D+02  0.480840D+01 -0.766069D+01  0.859119D+01
      5  -0.233039D+01  0.354709D+01 -0.353841D+01  0.449760D+01 -0.496714D+01
      6   0.333172D+01 -0.118969D+02  0.102987D+02 -0.584329D+01  0.141839D+02
                81            82            83            84            85 
      1  -0.769732D+01 -0.621176D+00  0.124656D+01  0.111635D+00  0.229108D+01
      2   0.700543D+01  0.967861D-01 -0.267244D+01  0.378856D+00 -0.347333D+01
      3   0.691886D+00  0.524390D+00  0.142588D+01 -0.490491D+00  0.118225D+01
      4  -0.683624D+01 -0.351919D+01  0.680736D+01  0.496296D+01  0.479566D+01
      5   0.426892D+01 -0.318701D+01  0.290147D+01  0.645418D+01  0.156301D+01
      6  -0.102941D+02  0.546201D+01 -0.233855D+01 -0.433800D+01 -0.187399D+01
                86            87            88            89            90 
      1  -0.927373D+01 -0.662094D+01  0.127623D+01 -0.116729D+02 -0.167849D+02
      2   0.109517D+02  0.580242D+01  0.114505D+01  0.910184D+01  0.302779D+01
      3  -0.167797D+01  0.818526D+00 -0.242128D+01  0.257107D+01  0.137571D+02
      4  -0.551280D+01 -0.233522D+01  0.647132D+01 -0.570695D+01 -0.734219D+01
      5  -0.271928D+01 -0.291464D+01  0.762255D+01 -0.597886D+01 -0.101074D+02
      6   0.100442D+02  0.122391D+02 -0.642979D+01  0.190920D+02  0.262413D+02
                91            92            93            94            95 
      1   0.672434D+01  0.370436D+01 -0.863048D+00 -0.102492D+01 -0.938606D+00
      2   0.285025D+01 -0.121803D+02 -0.803688D+00 -0.317062D+01  0.640358D+01
      3  -0.957459D+01  0.847590D+01  0.166674D+01  0.419554D+01 -0.546497D+01
      4  -0.215536D+02  0.178183D+02  0.243214D+01  0.835490D+01 -0.702600D+01
      5  -0.557678D+00  0.501951D+00  0.251606D+01  0.186126D+00 -0.439800D+00
      6   0.196725D+01 -0.302342D+00 -0.467268D+01 -0.706978D+00  0.391598D+00
                96            97            98            99           100 
      1   0.117462D+00 -0.251288D+00 -0.117648D+01 -0.955909D+00  0.482877D+01
      2   0.206832D+00 -0.904196D+00  0.218697D+01  0.401752D+00  0.809732D+01
      3  -0.324294D+00  0.115548D+01 -0.101049D+01  0.554157D+00 -0.129261D+02
      4  -0.843656D+00  0.330582D+01 -0.247175D+01 -0.307278D+01  0.824345D+01
      5  -0.992616D+00  0.309526D+01 -0.220896D+01 -0.744532D+00 -0.103215D+02
      6   0.236853D+01 -0.256272D+01  0.380075D+01  0.181726D+01  0.902695D+01
               101           102           103           104           105 
      1   0.852734D+01 -0.145287D+02  0.110238D+02 -0.170944D+01  0.166464D+01
      2  -0.607180D+01  0.307291D+01 -0.915107D+01  0.980518D-01 -0.742099D+01
      3  -0.245554D+01  0.114558D+02 -0.187277D+01  0.161139D+01  0.575635D+01
      4  -0.524303D+01  0.305196D+01 -0.818786D+01 -0.111627D+02 -0.768307D+01
      5   0.920678D+01 -0.111983D+02  0.990409D+01 -0.122065D+02  0.576208D+01
      6  -0.721040D+01  0.196640D+01 -0.957496D+01 -0.124764D+02 -0.685241D+01
               106           107           108           109           110 
      1  -0.131474D+02 -0.222292D-01 -0.357500D+01 -0.114959D+02  0.157294D+02
      2   0.254301D+01 -0.604518D+01 -0.638011D+01  0.829688D+00 -0.901141D+01
      3   0.106044D+02  0.606741D+01  0.995511D+01  0.106662D+02 -0.671795D+01
      4   0.195634D+01 -0.460084D+01  0.524160D+01  0.157198D+02 -0.157605D+02
      5  -0.105385D+02  0.487556D+01  0.115935D+02 -0.165067D+02 -0.689562D+00
      6   0.211206D+01 -0.524450D+01  0.696149D+01 -0.384053D+01  0.308859D+01
               111           112           113           114           115 
      1  -0.145805D+02  0.199971D+02 -0.149916D+02  0.437347D+01 -0.185773D+02
      2   0.868253D+01 -0.139717D+02  0.557984D+00  0.224574D+00  0.779890D+01
      3   0.589800D+01 -0.602531D+01  0.144337D+02 -0.459804D+01  0.107784D+02
      4   0.127879D+01 -0.219352D+02 -0.218519D+02 -0.378641D+01  0.260703D+01
      5   0.768717D+01 -0.275004D+00 -0.237980D+01  0.652072D+01  0.601120D+01
      6   0.317510D+00  0.445076D+01  0.481474D+01  0.170347D+01  0.910584D+00
               116           117           118           119           120 
      1   0.511556D+01  0.142580D+02 -0.721283D+01 -0.224001D+01  0.132344D+02
      2  -0.106155D+01  0.643512D+01 -0.273007D+01  0.516728D+00  0.545847D+01
      3  -0.405401D+01 -0.206931D+02  0.994290D+01  0.172328D+01 -0.186928D+02
      4  -0.578518D+01  0.772222D+01 -0.135446D+01  0.905432D+00  0.293545D+00
      5   0.647635D+01  0.230372D+02 -0.104679D+02 -0.248031D+01  0.613196D+01
      6   0.164656D+01 -0.237465D+01 -0.279106D+01 -0.430844D+01  0.150568D+01
               121           122           123           124           125 
      1  -0.313161D+01 -0.307842D+01  0.314934D+01  0.904284D+01  0.186932D+01
      2   0.127447D+01  0.583933D+00  0.190347D+01  0.257330D+01  0.131012D+01
      3   0.185715D+01  0.249448D+01 -0.505281D+01 -0.116161D+02 -0.317945D+01
      4   0.215227D+01  0.104326D+01  0.875446D+00  0.580346D+00  0.605732D+00
      5  -0.300395D+01 -0.142525D+00 -0.573276D+00  0.830414D+01  0.348542D+00
      6  -0.215995D+01 -0.116209D+01  0.571544D+01  0.128414D+01  0.512053D+01
               126           127           128           129           130 
      1  -0.137159D+02  0.158582D+01  0.119558D+01  0.176171D+01  0.256757D+01
      2  -0.755755D+01 -0.963727D+00  0.696072D+00 -0.968970D+00 -0.166167D+00
      3   0.212734D+02 -0.622092D+00 -0.189165D+01 -0.792740D+00 -0.240140D+01
      4  -0.930398D+00  0.398225D+01  0.742471D+01  0.184510D+01  0.955548D+01
      5  -0.456525D+01  0.438808D+01  0.322499D+01  0.513250D+01  0.658104D+01
      6  -0.236013D+01  0.239616D+01  0.448935D+01  0.181628D+01  0.640598D+01
               131           132           133           134           135 
      1  -0.828945D+01 -0.648917D+01  0.843534D+00 -0.386942D+01 -0.400066D+01
      2   0.125118D+02 -0.601906D+00 -0.100362D+01  0.195117D+00  0.137997D+00
      3  -0.422235D+01  0.709108D+01  0.160089D+00  0.367430D+01  0.386266D+01
      4   0.187731D+02  0.699146D+01  0.816451D+00  0.352042D+01  0.291505D+01
      5   0.932614D+01  0.812940D+01  0.397691D+01  0.341127D+01  0.244722D+01
      6   0.233959D+02  0.127908D+02  0.165156D+01  0.941254D+01  0.561590D+01
               136           137           138           139           140 
      1   0.183301D+02 -0.497190D+01  0.488240D+01 -0.773249D+01  0.182283D+01
      2  -0.162463D+02  0.385920D+01 -0.108225D+02  0.617229D+01 -0.916327D+00
      3  -0.208379D+01  0.111270D+01  0.594011D+01  0.156020D+01 -0.906505D+00
      4  -0.778816D+01  0.826293D+01 -0.381258D+01  0.852087D+01 -0.715192D+01
      5   0.238740D+02 -0.820427D+01  0.193758D+02 -0.121655D+02  0.888810D+01
      6  -0.698096D+01  0.766437D+01 -0.467943D+01  0.732143D+01 -0.672501D+01
               141           142           143           144           145 
      1   0.397437D+00  0.387281D+01  0.349988D+00  0.186603D-01  0.371791D+00
      2   0.589384D+01 -0.767183D+01  0.330647D+01 -0.888444D+01 -0.202106D+01
      3  -0.629127D+01  0.379902D+01 -0.365645D+01  0.886578D+01  0.164926D+01
      4   0.540720D+01 -0.233019D+01  0.324010D+01 -0.389196D+01 -0.183898D+01
      5  -0.105368D+02  0.141991D+02 -0.566762D+01  0.131262D+02 -0.148015D+01
      6   0.726235D+01 -0.371220D+01  0.524151D+01 -0.538426D+01  0.659862D+00
               146           147           148           149           150 
      1  -0.220376D+01 -0.430155D+01 -0.383389D+01 -0.614491D+00 -0.198459D+01
      2   0.121891D+01  0.125230D+01  0.268003D+01 -0.386462D+00 -0.156016D+01
      3   0.984850D+00  0.304925D+01  0.115386D+01  0.100095D+01  0.354475D+01
      4   0.177656D+01 -0.134797D+00  0.396395D+01  0.234402D+00 -0.387717D+01
      5   0.565041D+00  0.403026D+01  0.192411D+01 -0.356210D+01 -0.480586D+01
      6   0.478604D+00  0.180078D+00 -0.965879D+00  0.132183D+01  0.575829D+01
               151           152           153           154           155 
      1  -0.727529D+01 -0.163381D+01 -0.145425D+02  0.503107D+02 -0.146255D+02
      2   0.703081D+01 -0.785363D+00 -0.181505D+02 -0.235368D+02  0.594086D+01
      3   0.244483D+00  0.241917D+01  0.326930D+02 -0.267739D+02  0.868463D+01
      4  -0.634534D+00 -0.571178D+01 -0.345804D+01 -0.159465D+02  0.149914D+02
      5   0.124976D+02 -0.266428D+01 -0.372897D+02 -0.329862D+00 -0.274281D+00
      6   0.153991D+00  0.648936D+01  0.309673D+00  0.257351D+01 -0.266576D+01
               156           157           158           159           160 
      1   0.577250D+01 -0.238749D+02  0.113099D+02 -0.215592D+01  0.150776D+02
      2  -0.189957D+01  0.102839D+02 -0.132705D+01 -0.373812D+00 -0.672774D+01
      3  -0.387293D+01  0.135910D+02 -0.998282D+01  0.252973D+01 -0.834987D+01
      4  -0.199502D+01  0.177467D+02 -0.120995D+02  0.244129D+01 -0.435423D+01
      5   0.792134D+01  0.918712D+00  0.906681D+00 -0.669653D+01  0.685420D+01
      6  -0.156907D+00 -0.240461D+01  0.104147D+01  0.142416D+01 -0.566787D+00
               161           162           163           164           165 
      1  -0.333074D+01  0.394103D+01  0.120911D+02  0.602738D+01  0.116037D+01
      2   0.654023D+00 -0.376932D+01 -0.299001D+01 -0.449192D+00 -0.471147D+00
      3   0.267671D+01 -0.171708D+00 -0.910113D+01 -0.557819D+01 -0.689224D+00
      4   0.551509D+01 -0.409721D+01  0.933485D+01  0.148327D+02 -0.475329D+00
      5  -0.382399D+01  0.312589D+01 -0.886083D+00 -0.157058D+01  0.247585D+01
      6   0.787226D+00 -0.415603D+00 -0.140341D+01 -0.289426D+01  0.859363D+00
               166           167           168           169           170 
      1   0.121921D+02  0.405681D+01 -0.387412D+00  0.453598D+01  0.240100D+00
      2  -0.118575D+01  0.124963D+02  0.143927D+01 -0.129380D+01  0.126872D+01
      3  -0.110063D+02 -0.165531D+02 -0.105185D+01 -0.324218D+01 -0.150882D+01
      4   0.220935D+02  0.362818D+02 -0.870808D+00  0.141400D+01  0.292749D+01
      5  -0.411670D+01 -0.177185D+01  0.768404D+01  0.284543D+01  0.388497D+01
      6  -0.417502D+01 -0.899274D+01  0.477961D+01  0.150610D+01  0.350039D+01
               171 
      1  -0.121280D+01
      2  -0.397252D-01
      3   0.125253D+01
      4   0.338667D+01
      5  -0.162598D+01
      6   0.998653D-01
 Leave Link  716 at Wed Jul 28 20:09:35 2021, MaxMem=  5637144576 cpu:               2.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.942366D+02 -0.432394D+01 -0.185410D+01
      2  -0.432394D+01  0.823274D+02  0.769328D+00
      3  -0.185410D+01  0.769328D+00  0.744922D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.105928D+01 -0.148171D+01 -0.103839D+01
      2   0.375683D+01  0.109177D+01  0.354981D+02
      3  -0.141077D+02 -0.179263D+02 -0.239537D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.340832D+02  0.139058D+02  0.455831D+01
      2  -0.205641D+02 -0.697738D+01 -0.127250D+01
      3  -0.135191D+02 -0.692837D+01 -0.328580D+01
      4   0.284341D+01  0.493872D+02  0.887571D+00
      5   0.742816D+01  0.893797D+00  0.822232D+02
      6  -0.898420D-01  0.406232D+01 -0.275545D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.753680D+01 -0.233367D+01 -0.497770D+00 -0.183086D+01 -0.159535D+01
      2  -0.233367D+01  0.831272D+00  0.640083D-02 -0.159535D+01  0.559454D+00
      3  -0.497770D+00  0.640083D-02 -0.763769D-01  0.213248D+00  0.781843D-01
                 6             7             8             9            10 
      1   0.213248D+00 -0.158246D+01 -0.341982D-01  0.214206D+00 -0.318124D+01
      2   0.781843D-01 -0.341982D-01 -0.620529D+00 -0.198477D+00  0.226820D+01
      3  -0.711247D+00  0.214206D+00 -0.198477D+00 -0.802633D+00 -0.110001D+01
                11            12            13            14            15 
      1   0.226820D+01 -0.110001D+01  0.293406D+01  0.490445D+00 -0.173077D+00
      2  -0.510699D-01  0.386960D-01  0.490445D+00 -0.114765D+01 -0.541283D-02
      3   0.386960D-01 -0.790231D+00 -0.173077D+00 -0.541283D-02  0.206962D+01
                16            17            18            19            20 
      1  -0.616520D+00  0.714647D+00 -0.819287D+00  0.224871D+01 -0.179201D+01
      2   0.714647D+00 -0.804555D+00  0.960323D+00 -0.179201D+01  0.297177D+01
      3  -0.819287D+00  0.960323D+00  0.741827D+01  0.324700D+01  0.146261D+00
                21            22            23            24            25 
      1   0.324700D+01 -0.195370D+01  0.258589D+01 -0.148348D+00  0.366051D+01
      2   0.146261D+00  0.258589D+01  0.297594D+01  0.143233D+01 -0.182838D-01
      3  -0.555439D+00 -0.148348D+00  0.143233D+01 -0.183621D+01 -0.440336D+00
                26            27            28            29            30 
      1  -0.182838D-01 -0.440336D+00  0.193106D+01  0.587583D+00 -0.112593D+01
      2   0.108743D+01 -0.176073D+01  0.587583D+00 -0.277375D+01 -0.149692D+00
      3  -0.176073D+01 -0.634832D+01 -0.112593D+01 -0.149692D+00 -0.245985D+01
                31            32            33            34            35 
      1   0.301042D-01 -0.263022D+01  0.469412D+00 -0.934673D+00  0.215211D+00
      2  -0.263022D+01 -0.718349D+00 -0.132945D+01  0.215211D+00 -0.123362D+01
      3   0.469412D+00 -0.132945D+01  0.245415D+01 -0.171565D+01  0.381160D+01
                36            37            38            39            40 
      1  -0.171565D+01 -0.344800D+01 -0.244672D+01  0.284367D+00 -0.182366D+01
      2   0.381160D+01 -0.244672D+01 -0.835795D+00  0.314850D+00 -0.176626D+00
      3   0.386430D+01  0.284367D+00  0.314850D+00  0.682685D+00 -0.212496D+00
                41            42            43            44            45 
      1  -0.176626D+00 -0.212496D+00  0.600875D+00  0.233282D+00 -0.488680D+00
      2  -0.564938D+01  0.469338D+00  0.233282D+00  0.594066D+00 -0.159270D+01
      3   0.469338D+00 -0.891359D+00 -0.488680D+00 -0.159270D+01  0.656487D+00
                46            47            48            49            50 
      1  -0.173258D+02  0.254932D+01  0.918579D+00  0.202762D+01 -0.291103D+01
      2   0.254932D+01 -0.363440D+01 -0.108133D+00 -0.291103D+01  0.248935D+01
      3   0.918579D+00 -0.108133D+00 -0.182881D+01 -0.162037D+00  0.313099D+00
                51            52            53            54            55 
      1  -0.162037D+00  0.205898D+01 -0.223418D+00 -0.366445D+01  0.386144D+01
      2   0.313099D+00 -0.223418D+00  0.714658D+00  0.750923D+00 -0.252254D+00
      3   0.851500D+00 -0.366445D+01  0.750923D+00  0.122897D+01  0.733815D-01
                56            57            58            59            60 
      1  -0.252254D+00  0.733815D-01 -0.242728D+00 -0.157814D-02  0.413835D+00
      2   0.375575D+01  0.229316D+00 -0.157814D-02  0.595095D+01 -0.562459D+00
      3   0.229316D+00  0.117711D+01  0.413835D+00 -0.562459D+00 -0.475143D+00
                61            62            63            64            65 
      1  -0.744120D+00 -0.108756D-01  0.373801D+00  0.857612D+00 -0.371109D+00
      2  -0.108756D-01 -0.613704D-01  0.972569D+00 -0.371109D+00 -0.132145D+00
      3   0.373801D+00  0.972569D+00 -0.399412D+00 -0.106290D+01  0.619658D-01
                66            67            68            69            70 
      1  -0.106290D+01 -0.544338D+00 -0.202411D+00  0.320650D-01 -0.188015D+01
      2   0.619658D-01 -0.202411D+00  0.442095D+00 -0.123328D+01  0.425782D-01
      3   0.368270D+00  0.320650D-01 -0.123328D+01 -0.203916D+00  0.155731D+00
                71            72            73            74            75 
      1   0.425782D-01  0.155731D+00  0.176427D+01 -0.169625D+01  0.114161D+01
      2  -0.177705D+01  0.308834D+00 -0.169625D+01  0.240252D+01 -0.718721D+00
      3   0.308834D+00 -0.938803D+01  0.114161D+01 -0.718721D+00  0.111709D+01
                76            77            78            79            80 
      1  -0.155564D+01  0.192346D+01 -0.542301D+00  0.164627D+01 -0.100048D+01
      2   0.192346D+01 -0.538756D+01  0.183932D+01 -0.100048D+01  0.342903D+01
      3  -0.542301D+00  0.183932D+01 -0.181192D+01  0.123471D+01 -0.242975D+01
                81            82            83            84            85 
      1   0.123471D+01  0.725301D+00 -0.820217D+00 -0.129073D+01 -0.565008D+00
      2  -0.242975D+01 -0.820217D+00  0.848028D+00  0.516942D+00  0.983612D+00
      3   0.193033D+01 -0.129073D+01  0.516942D+00  0.104741D+01  0.245674D+00
                86            87            88            89            90 
      1   0.983612D+00  0.245674D+00 -0.226941D+01  0.508110D+00  0.144824D+01
      2  -0.250790D+01 -0.168423D+01  0.508110D+00 -0.308309D+01 -0.355902D+01
      3  -0.168423D+01 -0.187248D+01  0.144824D+01 -0.355902D+01 -0.636105D+01
                91            92            93            94            95 
      1  -0.473464D+01  0.212450D+01  0.419695D+00  0.160946D+01 -0.130071D+01
      2   0.212450D+01 -0.445305D+01 -0.280079D+00 -0.130071D+01  0.169796D+01
      3   0.419695D+00 -0.280079D+00 -0.128723D+01 -0.199521D+00  0.120191D+00
                96            97            98            99           100 
      1  -0.199521D+00  0.945155D+00 -0.338594D+00 -0.543113D+00 -0.131541D-01
      2   0.120191D+00 -0.338594D+00  0.872468D+00  0.720943D+00  0.257801D+01
      3   0.576192D+00 -0.543113D+00  0.720943D+00  0.452174D+00 -0.429389D+01
               101           102           103           104           105 
      1   0.257801D+01 -0.429389D+01  0.280845D+01 -0.255963D+01  0.402689D+00
      2  -0.201334D+01  0.390888D+00 -0.255963D+01 -0.421343D+01 -0.246345D+01
      3   0.390888D+00  0.131866D+01  0.402689D+00 -0.246345D+01  0.184273D+01
               106           107           108           109           110 
      1  -0.392359D+01  0.212632D+00  0.111207D+01 -0.148704D+01  0.243767D+01
      2   0.212632D+00 -0.126235D+01  0.163179D+01  0.243767D+01 -0.298659D+01
      3   0.111207D+01  0.163179D+01  0.339074D+01 -0.298986D+01  0.282555D+00
               111           112           113           114           115 
      1  -0.298986D+01  0.263899D+01 -0.355425D+01  0.270175D+00 -0.320214D+01
      2   0.282555D+00 -0.355425D+01 -0.419596D+01 -0.922127D+00  0.286323D+00
      3   0.130947D+01  0.270175D+00 -0.922127D+00  0.170834D+01  0.520440D+00
               116           117           118           119           120 
      1   0.286323D+00  0.520440D+00 -0.377829D+01 -0.796832D+00  0.227653D+01
      2  -0.101038D+01  0.152040D+01 -0.796832D+00 -0.919550D+00  0.235115D+00
      3   0.152040D+01  0.658352D+01  0.227653D+01  0.235115D+00 -0.377179D+01
               121           122           123           124           125 
      1  -0.965450D+00 -0.462166D+00  0.343273D+00  0.211740D+01  0.215832D+00
      2  -0.462166D+00 -0.110727D+00  0.964229D+00  0.215832D+00  0.871443D+00
      3   0.343273D+00  0.964229D+00 -0.119546D+01 -0.191070D+01 -0.575897D+00
               126           127           128           129           130 
      1  -0.191070D+01  0.807904D+00  0.843747D+00  0.829893D+00  0.162885D+01
      2  -0.575897D+00  0.843747D+00  0.118715D+01  0.354107D+00  0.166365D+01
      3   0.357138D+01  0.829893D+00  0.354107D+00  0.289012D+00  0.818825D+00
               131           132           133           134           135 
      1   0.166365D+01  0.818825D+00  0.585047D+00  0.275902D+00  0.243238D+00
      2   0.641023D+01  0.228703D+01  0.275902D+00  0.126928D+01  0.105057D+01
      3   0.228703D+01  0.259902D+01  0.243238D+00  0.105057D+01  0.843537D+00
               136           137           138           139           140 
      1   0.480002D+01 -0.169906D+01  0.282518D+01 -0.255940D+01  0.173424D+01
      2  -0.169906D+01  0.180601D+01 -0.869651D+00  0.173424D+01 -0.149099D+01
      3   0.282518D+01 -0.869651D+00  0.265904D+01 -0.132562D+01  0.140604D+01
               141           142           143           144           145 
      1  -0.132562D+01  0.192670D+01 -0.642305D+00  0.160195D+01 -0.150161D+00
      2   0.140604D+01 -0.642305D+00  0.869784D+00 -0.101417D+01 -0.355980D+00
      3  -0.220239D+01  0.160195D+01 -0.101417D+01  0.212467D+01 -0.554943D+00
               146           147           148           149           150 
      1  -0.355980D+00 -0.554943D+00 -0.725035D+00  0.488700D+00  0.170508D+00
      2   0.530252D-01 -0.487742D-01  0.488700D+00 -0.246695D-01 -0.952664D+00
      3  -0.487742D-01 -0.553047D+00  0.170508D+00 -0.952664D+00 -0.115707D+01
               151           152           153           154           155 
      1  -0.183899D+01 -0.619200D-01  0.136140D+01  0.744293D+01 -0.223517D+01
      2  -0.619200D-01 -0.125137D+01 -0.606080D+00 -0.223517D+01  0.204939D+01
      3   0.136140D+01 -0.606080D+00 -0.868195D+01  0.736712D+00 -0.313488D+00
               156           157           158           159           160 
      1   0.736712D+00 -0.401213D+01  0.238888D+01 -0.187553D+00  0.254878D+01
      2  -0.313488D+00  0.238888D+01 -0.168012D+01  0.387822D+00 -0.536497D+00
      3   0.109146D+01 -0.187553D+00  0.387822D+00 -0.113094D+01  0.939441D+00
               161           162           163           164           165 
      1  -0.536497D+00  0.939441D+00  0.214234D+01  0.141024D+01  0.163087D+00
      2   0.849965D+00 -0.661517D+00  0.141024D+01  0.189475D+01 -0.885586D-01
      3  -0.661517D+00  0.320389D+00  0.163087D+00 -0.885586D-01  0.262555D+00
               166           167           168           169           170 
      1   0.310042D+01  0.313511D+01 -0.428755D+00  0.902338D+00  0.162059D+00
      2   0.313511D+01  0.660076D+01 -0.144515D+00  0.162059D+00  0.546171D+00
      3  -0.428755D+00 -0.144515D+00  0.138659D+01  0.376991D+00  0.670401D+00
               171 
      1   0.376991D+00
      2   0.670401D+00
      3  -0.403384D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.127942D+01  0.423170D+01 -0.101382D+01  0.286864D+01  0.180965D+01
      2  -0.177525D+01 -0.277532D+01 -0.102484D+02 -0.227171D+01 -0.751290D+00
      3  -0.903885D+00  0.100062D+02  0.794373D+00 -0.300223D+00 -0.302036D+01
                 6             7             8             9            10 
      1   0.474298D+01  0.697279D+00  0.127419D+02 -0.184808D+01  0.444490D+00
      2   0.294146D+01 -0.135684D+02 -0.341952D+01  0.354399D+01 -0.357125D+01
      3  -0.155750D+01  0.279490D+01 -0.609677D+01  0.550934D+00  0.152657D+01
                11            12            13            14            15 
      1  -0.102731D+01 -0.282343D+01 -0.180803D+01 -0.374176D-02 -0.329251D+00
      2   0.206793D+01  0.138575D+01  0.397643D+01  0.284427D+00  0.365232D+01
      3  -0.334969D+01 -0.491847D+00  0.628873D+01 -0.762448D+00  0.110246D+01
                16            17            18            19            20 
      1  -0.125554D+01  0.170067D+01 -0.922434D+00 -0.646073D+00 -0.249349D+00
      2  -0.219117D+01  0.512264D+00 -0.465093D+01  0.805960D+01 -0.183236D+00
      3  -0.493886D+00  0.264900D+01 -0.173929D+01  0.254851D+01 -0.800821D+01
                21            22            23            24            25 
      1   0.748013D+00 -0.466007D+00  0.578299D+00 -0.591934D+01  0.411190D+00
      2   0.398888D+01 -0.702493D+00  0.186685D+01 -0.247740D+01 -0.462618D+01
      3  -0.370069D-01 -0.971750D-01 -0.568928D+01 -0.258054D+01  0.666631D+00
                26            27            28            29            30 
      1   0.222568D+01 -0.113554D+01  0.188708D+00  0.211488D+01 -0.445932D+01
      2  -0.234743D+01 -0.415534D+01 -0.185248D+01  0.554435D+00 -0.275000D+01
      3  -0.233164D+01  0.177602D+01 -0.970552D+01  0.125448D+01  0.722142D+00
                31            32            33            34            35 
      1   0.323140D+01 -0.363439D+01  0.576014D+01 -0.303708D+01  0.122625D+02
      2  -0.387774D+00 -0.250393D+01  0.203197D+01 -0.656201D+01  0.525940D+01
      3   0.382652D+01  0.534347D+01  0.160385D+01 -0.505193D-01  0.144995D+01
                36            37            38            39            40 
      1   0.645898D+01 -0.535586D+00 -0.170958D+01 -0.295809D+00  0.121030D+01
      2   0.285276D+01 -0.280686D+00  0.139146D+01  0.643747D+01  0.794682D+00
      3   0.126473D+01  0.863845D+01 -0.247755D+01 -0.959279D+00  0.120774D+02
                41            42            43            44            45 
      1   0.181150D+01 -0.698756D+01 -0.444601D+01 -0.179483D+01  0.186327D+01
      2  -0.401810D+00 -0.696999D+00 -0.336803D+01  0.385294D+01 -0.144669D+01
      3  -0.513266D+01 -0.817098D-01 -0.329009D+01  0.409549D+00 -0.563510D+00
                46            47            48            49            50 
      1   0.152161D+01 -0.113573D+01  0.149818D+01 -0.101696D+01 -0.356598D+00
      2  -0.314437D+01  0.108169D+00  0.144030D+02  0.112905D+01 -0.536434D+00
      3   0.852518D+01 -0.209665D+02 -0.432458D+00 -0.202742D+01  0.939642D+01
                51            52            53            54            55 
      1  -0.354003D+01 -0.174512D+01  0.632305D+00  0.590592D+00  0.125365D+01
      2  -0.233771D+01  0.474625D+01  0.888666D+00 -0.436543D+01 -0.321813D+00
      3   0.681544D+00 -0.524089D+00  0.466915D+01  0.268619D+01  0.132109D+02
                56            57            58            59            60 
      1  -0.129039D+01 -0.219107D+01  0.246132D-01 -0.267328D+01 -0.689709D+01
      2   0.982819D+00  0.103577D+01 -0.707768D+00 -0.620314D+00 -0.120962D+01
      3   0.156947D+00 -0.984006D+00  0.600360D+01  0.383605D+01  0.210327D+00
                61            62            63            64            65 
      1  -0.517674D+00  0.231826D+01 -0.193041D+01  0.180437D+00 -0.122367D+00
      2  -0.378099D+01  0.488376D+00 -0.710840D-01  0.226273D+01 -0.340227D+00
      3  -0.141666D+01  0.235399D-01  0.166166D+01  0.631936D+00 -0.100843D+01
                66            67            68            69            70 
      1   0.369418D+00 -0.426832D+00  0.528773D+00  0.400317D+00 -0.482797D+00
      2  -0.121329D+00 -0.110762D+01  0.429667D+00 -0.114966D+00 -0.496517D+01
      3  -0.468966D+00  0.332556D+00  0.973536D-01 -0.388618D+00 -0.873401D+00
                71            72            73            74            75 
      1   0.413922D+01  0.409103D+01  0.276984D+01 -0.167107D+01  0.306481D+01
      2   0.376736D+00  0.338193D+01  0.889074D+00 -0.784211D+00  0.216898D+01
      3  -0.779284D+00  0.688807D+00 -0.281496D+01 -0.221782D+00 -0.181303D+01
                76            77            78            79            80 
      1  -0.190503D+01  0.440026D+01 -0.565064D+01  0.302268D+01 -0.357422D+01
      2   0.237390D+00  0.182337D+01 -0.213404D+01 -0.732051D-01 -0.227774D+01
      3   0.446601D+01 -0.747659D+00 -0.113116D+00 -0.399621D+01 -0.116021D+01
                81            82            83            84            85 
      1   0.558862D+01 -0.241808D+01 -0.659481D-02  0.210622D+01 -0.247765D+00
      2   0.214701D+01  0.928747D-01 -0.155012D+00  0.774518D+00 -0.579596D+00
      3  -0.100689D+01 -0.148541D+01 -0.545171D+00  0.230153D+01  0.148636D+01
                86            87            88            89            90 
      1  -0.160539D+01 -0.437703D+01  0.331434D+01 -0.254503D+01 -0.115123D+02
      2  -0.730849D+00 -0.155296D+01 -0.238500D+01 -0.254994D+01 -0.448219D+01
      3  -0.112387D+01  0.371806D+00  0.566353D+01  0.114386D+01 -0.152305D+01
                91            92            93            94            95 
      1  -0.217740D+01  0.139658D+01  0.330081D+01  0.389456D+00 -0.920561D+00
      2  -0.222036D+00  0.471944D-01  0.220124D+01  0.835972D-01  0.168831D+00
      3  -0.136296D+02 -0.225847D+01  0.139751D+01  0.152312D+01 -0.295340D+01
                96            97            98            99           100 
      1  -0.146172D+01  0.711271D+00 -0.575852D+00 -0.127018D+01  0.598398D+01
      2  -0.769487D+00 -0.487423D+00 -0.896303D+00 -0.415082D+00 -0.594758D+01
      3  -0.161229D+00  0.231480D+01 -0.262448D+00 -0.303419D+00 -0.324802D+01
               101           102           103           104           105 
      1  -0.417406D+01 -0.284060D+00 -0.521359D+01 -0.873473D+01 -0.855700D+01
      2  -0.436201D+01  0.140088D+02 -0.448755D+01  0.134945D+01  0.168455D+01
      3   0.173100D+01 -0.215368D+01  0.667281D+01  0.516625D+01  0.316603D+01
               106           107           108           109           110 
      1   0.537729D+00 -0.226782D+01  0.313035D+01 -0.126712D+01  0.300264D+01
      2   0.681825D+01  0.161087D+01  0.115799D+01 -0.104747D+02  0.270415D+01
      3  -0.153899D+01  0.230772D+01 -0.184427D+01 -0.723629D+01  0.696837D+01
               111           112           113           114           115 
      1  -0.593534D+00  0.399952D+01  0.450085D+01 -0.161878D+01  0.189070D+00
      2   0.142391D+01  0.312070D+01 -0.560655D+01  0.452196D+01 -0.463066D+01
      3  -0.138911D+01  0.154343D+02  0.111433D+02  0.165041D+01 -0.197556D+01
               116           117           118           119           120 
      1   0.202247D+01 -0.350131D+01 -0.215426D+01 -0.308094D+01  0.876428D+00
      2   0.381158D+01  0.183908D+02  0.127181D+02  0.233265D+01 -0.611675D+01
      3   0.282213D+01 -0.403445D+01 -0.179893D+00 -0.811475D+00  0.308181D+00
               121           122           123           124           125 
      1  -0.120312D+01 -0.678547D+00  0.679720D+00  0.113054D+01  0.317432D+01
      2   0.293160D+01  0.194359D+01 -0.158118D+01 -0.820123D+01 -0.116165D+01
      3   0.120245D+01 -0.101593D+00 -0.869323D+00  0.226703D-02 -0.583541D-01
               126           127           128           129           130 
      1  -0.171235D+01  0.115099D+01  0.207885D+01  0.199986D+00  0.233167D+01
      2   0.668456D+01  0.248878D+00 -0.708967D+00  0.204496D+00 -0.248616D+01
      3   0.305258D-01 -0.554947D+00 -0.203211D+01 -0.358789D+00  0.106259D+01
               131           132           133           134           135 
      1   0.126052D+02  0.147202D+00  0.720600D+00  0.297709D+01  0.153314D+01
      2   0.582268D+00  0.286210D+01 -0.157150D+01  0.803978D+00  0.701732D+00
      3  -0.910617D+01 -0.259688D+01 -0.682366D-01 -0.166404D+01 -0.161505D+01
               136           137           138           139           140 
      1  -0.390347D+01  0.472396D+01 -0.115738D+01  0.314037D+01 -0.362824D+01
      2  -0.524839D+01  0.214841D+01  0.138092D+01  0.358890D+01 -0.114648D+01
      3   0.229679D+01 -0.467737D+01  0.157402D+01 -0.130050D+01  0.315952D+01
               141           142           143           144           145 
      1   0.110846D+01 -0.165279D+01  0.308223D+01 -0.196632D+01  0.528430D+00
      2  -0.151620D+01 -0.312784D+01 -0.494502D-01  0.543815D+00 -0.243331D+01
      3  -0.190055D+01  0.932451D+00 -0.187821D+01  0.174079D+01  0.884135D+00
               146           147           148           149           150 
      1   0.270049D+00  0.679110D-02 -0.226360D+00  0.626115D+00  0.129969D+00
      2  -0.419028D+00 -0.487380D+00 -0.889781D+00 -0.160981D+01 -0.276733D+01
      3  -0.874653D+00 -0.592627D-01 -0.222258D+00  0.251535D+00  0.201044D+01
               151           152           153           154           155 
      1  -0.295627D-01  0.435553D+01  0.264086D+01  0.180648D+01 -0.150138D+01
      2  -0.242817D+01 -0.191313D+01 -0.207757D+02  0.802434D+01 -0.309526D+01
      3   0.129473D+00  0.334032D+01  0.182878D+01  0.664116D+01 -0.821851D+01
               156           157           158           159           160 
      1   0.100370D+01 -0.155284D+01  0.995655D+00 -0.167922D+01  0.281640D+00
      2   0.589049D+01 -0.360363D+01  0.310578D+01 -0.459602D+01  0.286682D+01
      3   0.118637D+01 -0.499564D+01  0.584991D+01 -0.136465D+01  0.143142D+01
               161           162           163           164           165 
      1   0.217667D+00  0.866906D+00 -0.144720D+01 -0.184989D+01 -0.355924D+00
      2  -0.223413D+01  0.234224D+01  0.204833D+01  0.871085D+00  0.166550D+01
      3  -0.305235D+01  0.190254D+01 -0.298411D+01 -0.582944D+01  0.478323D+00
               166           167           168           169           170 
      1  -0.220152D+01 -0.600590D+01 -0.319695D+01 -0.106932D-01  0.701749D-01
      2   0.136175D+01  0.235324D+01  0.405955D+01  0.417339D+00  0.140670D+01
      3  -0.431491D+01 -0.177686D+02 -0.109693D+00  0.292174D+00 -0.153190D+01
               171 
      1  -0.579816D+00
      2  -0.457407D+00
      3  -0.150104D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.511938D+02 -0.807139D+00  0.115369D+01  0.139324D+02  0.107877D+02
      2   0.291008D+02  0.487765D+01 -0.416616D+01 -0.938826D+01 -0.131819D+02
      3   0.220930D+02 -0.407051D+01  0.301247D+01 -0.454415D+01  0.239423D+01
      4   0.100098D+02 -0.142770D+02  0.317833D+00  0.768381D+00  0.743222D+01
      5   0.279130D+01  0.103305D+01 -0.146412D+02 -0.111130D+01  0.205065D+00
      6  -0.157312D+00 -0.715464D+00  0.441516D+01 -0.117456D+00 -0.501038D+00
                 6             7             8             9            10 
      1  -0.245310D+01  0.973649D+01 -0.188581D+01 -0.616060D+01 -0.122240D+01
      2   0.599358D+00 -0.693548D+01 -0.335517D-01 -0.412684D+01  0.532559D+01
      3   0.185374D+01 -0.280102D+01  0.191936D+01  0.102874D+02 -0.410319D+01
      4   0.490343D+00 -0.790810D+00  0.370286D+01  0.105163D+01 -0.180076D+01
      5   0.923181D+01  0.489073D+01 -0.343066D+00  0.658297D+01 -0.196164D+01
      6  -0.530608D+01  0.813169D+00  0.242839D+01  0.117037D+01 -0.147711D+00
                11            12            13            14            15 
      1  -0.176916D+01 -0.739305D+00  0.742091D+01  0.187277D+00  0.170808D+01
      2   0.370710D+01 -0.207679D+00 -0.376243D+01 -0.512688D+01  0.665149D+01
      3  -0.193795D+01  0.946984D+00 -0.365848D+01  0.493961D+01 -0.835957D+01
      4   0.359304D+00 -0.152077D+00 -0.430657D+01  0.848201D+00 -0.173156D+01
      5  -0.187979D+01  0.770443D+00 -0.232221D+01 -0.339903D+00  0.435920D+01
      6  -0.152316D+01  0.251762D+01 -0.137210D+01  0.132233D+01 -0.338515D+01
                16            17            18            19            20 
      1  -0.735683D+01  0.384523D+00  0.137605D+02 -0.211879D+01 -0.262587D+01
      2   0.218935D+01 -0.328433D+01  0.162144D+02 -0.414969D+01 -0.191774D+01
      3   0.516748D+01  0.289980D+01 -0.299749D+02  0.626849D+01  0.454361D+01
      4  -0.174080D+01 -0.102812D+01 -0.362702D+01 -0.413554D+01  0.502446D+01
      5   0.270812D+00 -0.163737D+01 -0.139275D+01  0.137895D+02  0.147216D+01
      6  -0.332090D+01  0.159395D+01  0.655543D+01  0.206080D+00  0.284705D+01
                21            22            23            24            25 
      1   0.927115D+01 -0.839941D+01  0.101213D+02  0.125906D+01  0.138029D+02
      2  -0.409281D+01  0.505302D+01 -0.887968D+01 -0.147403D+00 -0.559830D+01
      3  -0.517834D+01  0.334639D+01 -0.124167D+01 -0.111165D+01 -0.820458D+01
      4   0.137515D+00  0.930106D+01  0.678996D+01  0.188508D+01  0.261531D+00
      5  -0.191309D+01  0.864433D+00  0.172594D+01 -0.475844D+01 -0.214433D+01
      6  -0.264791D+01  0.178302D+01 -0.292746D+01  0.436821D+01 -0.283862D+01
                26            27            28            29            30 
      1   0.211049D+00 -0.566798D+01 -0.672697D+00 -0.809123D+01 -0.324468D+01
      2   0.627309D+00  0.426288D+01  0.593422D+00  0.128773D+02 -0.117961D+01
      3  -0.838358D+00  0.140510D+01  0.792753D-01 -0.478603D+01  0.442429D+01
      4   0.146942D+01 -0.531025D+01 -0.251799D+01 -0.144403D+02  0.236718D+01
      5  -0.466610D+01 -0.123863D+02 -0.414074D+01  0.100357D+01 -0.706689D+01
      6   0.323381D+01 -0.126039D+01  0.647748D+00 -0.964523D+00  0.997647D+01
                31            32            33            34            35 
      1  -0.458666D+01 -0.193156D+01  0.484020D+00 -0.299736D+01  0.156636D+01
      2   0.766033D+01  0.204449D+01  0.663896D+01 -0.207544D+01  0.741130D+01
      3  -0.307366D+01 -0.112926D+00 -0.712298D+01  0.507280D+01 -0.897765D+01
      4  -0.681667D+01  0.578235D+01 -0.294778D+01  0.244747D+01 -0.247055D+01
      5   0.461877D+00 -0.169933D+01  0.387518D+01 -0.467883D+01  0.864207D+01
      6  -0.316417D+01  0.825942D+01 -0.123814D+02  0.952536D+01 -0.177303D+02
                36            37            38            39            40 
      1   0.120062D+02  0.596094D+01  0.438137D+01  0.112837D+01 -0.324668D+01
      2  -0.990966D+01  0.119322D+01 -0.197334D+01  0.930345D+00  0.384919D+01
      3  -0.209657D+01 -0.715416D+01 -0.240803D+01 -0.205871D+01 -0.602512D+00
      4   0.115312D+02  0.974589D+01  0.193927D+02 -0.880027D+00  0.108855D+02
      5   0.749479D+01  0.129938D+01  0.432179D+00  0.939463D+01  0.703070D+00
      6  -0.130207D+02  0.897707D+00 -0.136279D+01 -0.144175D+01  0.446867D+00
                41            42            43            44            45 
      1  -0.178089D+02  0.148370D+01 -0.128917D+00  0.623555D+00 -0.501413D+01
      2   0.283136D+02 -0.748102D+00  0.315397D+00 -0.169343D+00  0.340043D+01
      3  -0.105047D+02 -0.735601D+00 -0.186480D+00 -0.454212D+00  0.161370D+01
      4   0.896991D+01 -0.852682D+00 -0.867384D+00 -0.150217D+01  0.568776D+01
      5   0.108529D+01 -0.270469D+01  0.332554D+01  0.426639D+01 -0.190737D+01
      6  -0.262117D+00  0.107396D+02  0.162979D+01  0.939823D+01 -0.210892D+01
                46            47            48            49            50 
      1   0.100245D+03 -0.894265D+01 -0.365030D+01 -0.115916D+02  0.754870D+01
      2  -0.573314D+02  0.456015D+01  0.318985D+01  0.688894D+01  0.372515D+00
      3  -0.429131D+02  0.438249D+01  0.460448D+00  0.470264D+01 -0.792121D+01
      4  -0.768634D+01  0.239599D+02  0.271593D+00  0.209096D+02 -0.890069D+01
      5  -0.237472D+01 -0.137838D+00  0.237740D+02  0.113858D+01 -0.108568D+01
      6   0.139085D+00  0.749220D+00 -0.256008D+01 -0.804199D+00 -0.341743D+00
                51            52            53            54            55 
      1   0.928814D+00 -0.867679D+01  0.140120D+01  0.131163D+02 -0.111726D+01
      2  -0.441977D+00  0.632782D+01 -0.182673D-01 -0.116918D+02 -0.887896D+00
      3  -0.486836D+00  0.234897D+01 -0.138293D+01 -0.142452D+01  0.200516D+01
      4  -0.212506D+01  0.153477D+01 -0.358034D+01 -0.112674D+01  0.151443D+02
      5  -0.538408D+01  0.242790D+02 -0.349914D+01 -0.758579D+01  0.490165D+00
      6   0.523019D+01 -0.243559D+00  0.448523D+01  0.434499D-02 -0.165018D+01
                56            57            58            59            60 
      1  -0.418298D+01  0.811330D+00 -0.269224D+01 -0.237143D+02 -0.148479D+01
      2   0.849873D+01  0.890172D+00  0.210486D+01  0.373334D+02 -0.517806D+01
      3  -0.431575D+01 -0.170150D+01  0.587385D+00 -0.136191D+02  0.666285D+01
      4  -0.481922D+01 -0.172155D+01  0.480820D+01 -0.293962D+01  0.176187D+01
      5  -0.992439D+00  0.285548D+01  0.667038D+00  0.339258D+00 -0.261388D+01
      6   0.419713D+00  0.200831D+01  0.162348D+01 -0.295969D+01  0.111060D+02
                61            62            63            64            65 
      1   0.304211D+00 -0.473624D+00 -0.663038D+01 -0.184690D+00  0.983155D+00
      2   0.615592D+00  0.272910D+01  0.591112D+00 -0.422307D+01 -0.403397D+00
      3  -0.919803D+00 -0.225548D+01  0.603927D+01  0.440776D+01 -0.579758D+00
      4  -0.147219D+01  0.168228D+01  0.460552D+00  0.112963D+01  0.206520D+01
      5   0.288038D+01 -0.103305D+01  0.479674D-01  0.309927D+00 -0.258624D+00
      6   0.844886D+00  0.858649D+01  0.132912D+00 -0.135146D+01  0.147491D+00
                66            67            68            69            70 
      1   0.521104D+00 -0.348774D-02 -0.377267D+01  0.645136D+00  0.143330D+01
      2   0.126104D+00  0.466434D+00  0.570980D+00 -0.308126D+01  0.581306D+00
      3  -0.647208D+00 -0.462947D+00  0.320169D+01  0.243612D+01 -0.201461D+01
      4  -0.148171D+01  0.180920D+01  0.359137D-01  0.538221D+00 -0.154426D+01
      5   0.673332D+01  0.413011D+00  0.323157D+00 -0.431890D-01  0.604779D+01
      6  -0.104283D+00  0.101952D+00 -0.157688D+01  0.663277D+01  0.762297D+00
                71            72            73            74            75 
      1   0.309235D+01 -0.208042D+02  0.104022D+01  0.289981D+01 -0.372675D+00
      2  -0.295087D+01 -0.206284D+02  0.416858D+01 -0.919045D+01  0.186667D+01
      3  -0.141481D+00  0.414325D+02 -0.520879D+01  0.629063D+01 -0.149400D+01
      4   0.160308D+01  0.169613D+01 -0.949247D+01  0.132467D+02 -0.553621D+01
      5   0.260488D+00  0.402642D+01  0.341746D+01 -0.308416D+01  0.405868D+01
      6   0.630133D+01 -0.109205D+02 -0.565373D+01  0.440130D+01 -0.496183D+01
                76            77            78            79            80 
      1   0.357554D+01 -0.145962D+02  0.485188D+01 -0.278619D+00  0.869812D+01
      2  -0.792932D+01  0.273499D+02 -0.878076D+01  0.232593D+01 -0.149554D+02
      3   0.435378D+01 -0.127537D+02  0.392888D+01 -0.204732D+01  0.625728D+01
      4   0.981762D+01 -0.138698D+02  0.480840D+01 -0.766069D+01  0.859119D+01
      5  -0.233039D+01  0.354709D+01 -0.353841D+01  0.449760D+01 -0.496714D+01
      6   0.333172D+01 -0.118969D+02  0.102987D+02 -0.584329D+01  0.141839D+02
                81            82            83            84            85 
      1  -0.769732D+01 -0.621176D+00  0.124656D+01  0.111635D+00  0.229108D+01
      2   0.700543D+01  0.967861D-01 -0.267244D+01  0.378856D+00 -0.347333D+01
      3   0.691886D+00  0.524390D+00  0.142588D+01 -0.490491D+00  0.118225D+01
      4  -0.683624D+01 -0.351919D+01  0.680736D+01  0.496296D+01  0.479566D+01
      5   0.426892D+01 -0.318701D+01  0.290147D+01  0.645418D+01  0.156301D+01
      6  -0.102941D+02  0.546201D+01 -0.233855D+01 -0.433800D+01 -0.187399D+01
                86            87            88            89            90 
      1  -0.927373D+01 -0.662094D+01  0.127623D+01 -0.116729D+02 -0.167849D+02
      2   0.109517D+02  0.580242D+01  0.114505D+01  0.910184D+01  0.302779D+01
      3  -0.167797D+01  0.818526D+00 -0.242128D+01  0.257107D+01  0.137571D+02
      4  -0.551280D+01 -0.233522D+01  0.647132D+01 -0.570695D+01 -0.734219D+01
      5  -0.271928D+01 -0.291464D+01  0.762255D+01 -0.597886D+01 -0.101074D+02
      6   0.100442D+02  0.122391D+02 -0.642979D+01  0.190920D+02  0.262413D+02
                91            92            93            94            95 
      1   0.672434D+01  0.370436D+01 -0.863048D+00 -0.102492D+01 -0.938606D+00
      2   0.285025D+01 -0.121803D+02 -0.803688D+00 -0.317062D+01  0.640358D+01
      3  -0.957459D+01  0.847590D+01  0.166674D+01  0.419554D+01 -0.546497D+01
      4  -0.215536D+02  0.178183D+02  0.243214D+01  0.835490D+01 -0.702600D+01
      5  -0.557678D+00  0.501951D+00  0.251606D+01  0.186126D+00 -0.439800D+00
      6   0.196725D+01 -0.302342D+00 -0.467268D+01 -0.706978D+00  0.391598D+00
                96            97            98            99           100 
      1   0.117462D+00 -0.251288D+00 -0.117648D+01 -0.955909D+00  0.482877D+01
      2   0.206832D+00 -0.904196D+00  0.218697D+01  0.401752D+00  0.809732D+01
      3  -0.324294D+00  0.115548D+01 -0.101049D+01  0.554157D+00 -0.129261D+02
      4  -0.843656D+00  0.330582D+01 -0.247175D+01 -0.307278D+01  0.824345D+01
      5  -0.992616D+00  0.309526D+01 -0.220896D+01 -0.744532D+00 -0.103215D+02
      6   0.236853D+01 -0.256272D+01  0.380075D+01  0.181726D+01  0.902695D+01
               101           102           103           104           105 
      1   0.852734D+01 -0.145287D+02  0.110238D+02 -0.170944D+01  0.166464D+01
      2  -0.607180D+01  0.307291D+01 -0.915107D+01  0.980518D-01 -0.742099D+01
      3  -0.245554D+01  0.114558D+02 -0.187277D+01  0.161139D+01  0.575635D+01
      4  -0.524303D+01  0.305196D+01 -0.818786D+01 -0.111627D+02 -0.768307D+01
      5   0.920678D+01 -0.111983D+02  0.990409D+01 -0.122065D+02  0.576208D+01
      6  -0.721040D+01  0.196640D+01 -0.957496D+01 -0.124764D+02 -0.685241D+01
               106           107           108           109           110 
      1  -0.131474D+02 -0.222292D-01 -0.357500D+01 -0.114959D+02  0.157294D+02
      2   0.254301D+01 -0.604518D+01 -0.638011D+01  0.829688D+00 -0.901141D+01
      3   0.106044D+02  0.606741D+01  0.995511D+01  0.106662D+02 -0.671795D+01
      4   0.195634D+01 -0.460084D+01  0.524160D+01  0.157198D+02 -0.157605D+02
      5  -0.105385D+02  0.487556D+01  0.115935D+02 -0.165067D+02 -0.689562D+00
      6   0.211206D+01 -0.524450D+01  0.696149D+01 -0.384053D+01  0.308859D+01
               111           112           113           114           115 
      1  -0.145805D+02  0.199971D+02 -0.149916D+02  0.437347D+01 -0.185773D+02
      2   0.868253D+01 -0.139717D+02  0.557984D+00  0.224574D+00  0.779890D+01
      3   0.589800D+01 -0.602531D+01  0.144337D+02 -0.459804D+01  0.107784D+02
      4   0.127879D+01 -0.219352D+02 -0.218519D+02 -0.378641D+01  0.260703D+01
      5   0.768717D+01 -0.275004D+00 -0.237980D+01  0.652072D+01  0.601120D+01
      6   0.317510D+00  0.445076D+01  0.481474D+01  0.170347D+01  0.910584D+00
               116           117           118           119           120 
      1   0.511556D+01  0.142580D+02 -0.721283D+01 -0.224001D+01  0.132344D+02
      2  -0.106155D+01  0.643512D+01 -0.273007D+01  0.516728D+00  0.545847D+01
      3  -0.405401D+01 -0.206931D+02  0.994290D+01  0.172328D+01 -0.186928D+02
      4  -0.578518D+01  0.772222D+01 -0.135446D+01  0.905432D+00  0.293545D+00
      5   0.647635D+01  0.230372D+02 -0.104679D+02 -0.248031D+01  0.613196D+01
      6   0.164656D+01 -0.237465D+01 -0.279106D+01 -0.430844D+01  0.150568D+01
               121           122           123           124           125 
      1  -0.313161D+01 -0.307842D+01  0.314934D+01  0.904284D+01  0.186932D+01
      2   0.127447D+01  0.583933D+00  0.190347D+01  0.257330D+01  0.131012D+01
      3   0.185715D+01  0.249448D+01 -0.505281D+01 -0.116161D+02 -0.317945D+01
      4   0.215227D+01  0.104326D+01  0.875446D+00  0.580346D+00  0.605732D+00
      5  -0.300395D+01 -0.142525D+00 -0.573276D+00  0.830414D+01  0.348542D+00
      6  -0.215995D+01 -0.116209D+01  0.571544D+01  0.128414D+01  0.512053D+01
               126           127           128           129           130 
      1  -0.137159D+02  0.158582D+01  0.119558D+01  0.176171D+01  0.256757D+01
      2  -0.755755D+01 -0.963727D+00  0.696072D+00 -0.968970D+00 -0.166167D+00
      3   0.212734D+02 -0.622092D+00 -0.189165D+01 -0.792740D+00 -0.240140D+01
      4  -0.930398D+00  0.398225D+01  0.742471D+01  0.184510D+01  0.955548D+01
      5  -0.456525D+01  0.438808D+01  0.322499D+01  0.513250D+01  0.658104D+01
      6  -0.236013D+01  0.239616D+01  0.448935D+01  0.181628D+01  0.640598D+01
               131           132           133           134           135 
      1  -0.828945D+01 -0.648917D+01  0.843534D+00 -0.386942D+01 -0.400066D+01
      2   0.125118D+02 -0.601906D+00 -0.100362D+01  0.195117D+00  0.137997D+00
      3  -0.422235D+01  0.709108D+01  0.160089D+00  0.367430D+01  0.386266D+01
      4   0.187731D+02  0.699146D+01  0.816451D+00  0.352042D+01  0.291505D+01
      5   0.932614D+01  0.812940D+01  0.397691D+01  0.341127D+01  0.244722D+01
      6   0.233959D+02  0.127908D+02  0.165156D+01  0.941254D+01  0.561590D+01
               136           137           138           139           140 
      1   0.183301D+02 -0.497190D+01  0.488240D+01 -0.773249D+01  0.182283D+01
      2  -0.162463D+02  0.385920D+01 -0.108225D+02  0.617229D+01 -0.916327D+00
      3  -0.208379D+01  0.111270D+01  0.594011D+01  0.156020D+01 -0.906505D+00
      4  -0.778816D+01  0.826293D+01 -0.381258D+01  0.852087D+01 -0.715192D+01
      5   0.238740D+02 -0.820427D+01  0.193758D+02 -0.121655D+02  0.888810D+01
      6  -0.698096D+01  0.766437D+01 -0.467943D+01  0.732143D+01 -0.672501D+01
               141           142           143           144           145 
      1   0.397437D+00  0.387281D+01  0.349988D+00  0.186603D-01  0.371791D+00
      2   0.589384D+01 -0.767183D+01  0.330647D+01 -0.888444D+01 -0.202106D+01
      3  -0.629127D+01  0.379902D+01 -0.365645D+01  0.886578D+01  0.164926D+01
      4   0.540720D+01 -0.233019D+01  0.324010D+01 -0.389196D+01 -0.183898D+01
      5  -0.105368D+02  0.141991D+02 -0.566762D+01  0.131262D+02 -0.148015D+01
      6   0.726235D+01 -0.371220D+01  0.524151D+01 -0.538426D+01  0.659862D+00
               146           147           148           149           150 
      1  -0.220376D+01 -0.430155D+01 -0.383389D+01 -0.614491D+00 -0.198459D+01
      2   0.121891D+01  0.125230D+01  0.268003D+01 -0.386462D+00 -0.156016D+01
      3   0.984850D+00  0.304925D+01  0.115386D+01  0.100095D+01  0.354475D+01
      4   0.177656D+01 -0.134797D+00  0.396395D+01  0.234402D+00 -0.387717D+01
      5   0.565041D+00  0.403026D+01  0.192411D+01 -0.356210D+01 -0.480586D+01
      6   0.478604D+00  0.180078D+00 -0.965879D+00  0.132183D+01  0.575829D+01
               151           152           153           154           155 
      1  -0.727529D+01 -0.163381D+01 -0.145425D+02  0.503107D+02 -0.146255D+02
      2   0.703081D+01 -0.785363D+00 -0.181505D+02 -0.235368D+02  0.594086D+01
      3   0.244483D+00  0.241917D+01  0.326930D+02 -0.267739D+02  0.868463D+01
      4  -0.634534D+00 -0.571178D+01 -0.345804D+01 -0.159465D+02  0.149914D+02
      5   0.124976D+02 -0.266428D+01 -0.372897D+02 -0.329862D+00 -0.274281D+00
      6   0.153991D+00  0.648936D+01  0.309673D+00  0.257351D+01 -0.266576D+01
               156           157           158           159           160 
      1   0.577250D+01 -0.238749D+02  0.113099D+02 -0.215592D+01  0.150776D+02
      2  -0.189957D+01  0.102839D+02 -0.132705D+01 -0.373812D+00 -0.672774D+01
      3  -0.387293D+01  0.135910D+02 -0.998282D+01  0.252973D+01 -0.834987D+01
      4  -0.199502D+01  0.177467D+02 -0.120995D+02  0.244129D+01 -0.435423D+01
      5   0.792134D+01  0.918712D+00  0.906681D+00 -0.669653D+01  0.685420D+01
      6  -0.156907D+00 -0.240461D+01  0.104147D+01  0.142416D+01 -0.566787D+00
               161           162           163           164           165 
      1  -0.333074D+01  0.394103D+01  0.120911D+02  0.602738D+01  0.116037D+01
      2   0.654023D+00 -0.376932D+01 -0.299001D+01 -0.449192D+00 -0.471147D+00
      3   0.267671D+01 -0.171708D+00 -0.910113D+01 -0.557819D+01 -0.689224D+00
      4   0.551509D+01 -0.409721D+01  0.933485D+01  0.148327D+02 -0.475329D+00
      5  -0.382399D+01  0.312589D+01 -0.886083D+00 -0.157058D+01  0.247585D+01
      6   0.787226D+00 -0.415603D+00 -0.140341D+01 -0.289426D+01  0.859363D+00
               166           167           168           169           170 
      1   0.121921D+02  0.405681D+01 -0.387412D+00  0.453598D+01  0.240100D+00
      2  -0.118575D+01  0.124963D+02  0.143927D+01 -0.129380D+01  0.126872D+01
      3  -0.110063D+02 -0.165531D+02 -0.105185D+01 -0.324218D+01 -0.150882D+01
      4   0.220935D+02  0.362818D+02 -0.870808D+00  0.141400D+01  0.292749D+01
      5  -0.411670D+01 -0.177185D+01  0.768404D+01  0.284543D+01  0.388497D+01
      6  -0.417502D+01 -0.899274D+01  0.477961D+01  0.150610D+01  0.350039D+01
               171 
      1  -0.121280D+01
      2  -0.397252D-01
      3   0.125253D+01
      4   0.338667D+01
      5  -0.162598D+01
      6   0.998653D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.142388D+01      0.361915D+01      0.120722D+02
   x          0.135843D+01      0.345279D+01      0.115173D+02
   y         -0.317516D+00     -0.807046D+00     -0.269202D+01
   z         -0.285117D+00     -0.724696D+00     -0.241732D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.774738D+02      0.114804D+02      0.127737D+02
   aniso      0.181487D+02      0.268936D+01      0.299231D+01
   xx         0.874530D+02      0.129592D+02      0.144191D+02
   yx        -0.441639D+01     -0.654442D+00     -0.728165D+00
   yy         0.759243D+02      0.112508D+02      0.125182D+02
   zx        -0.164996D+01     -0.244499D+00     -0.272041D+00
   zy         0.102113D+01      0.151316D+00      0.168362D+00
   zz         0.690442D+02      0.102313D+02      0.113839D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.836854D+02      0.124009D+02      0.137979D+02
   aniso      0.190974D+02      0.282994D+01      0.314873D+01
   xx         0.942366D+02      0.139644D+02      0.155375D+02
   yx        -0.432394D+01     -0.640742D+00     -0.712921D+00
   yy         0.823274D+02      0.121997D+02      0.135740D+02
   zx        -0.185410D+01     -0.274750D+00     -0.305700D+00
   zy         0.769328D+00      0.114003D+00      0.126845D+00
   zz         0.744922D+02      0.110386D+02      0.122821D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.94103562          0.86388277         -2.35731975
     6         -0.86959382         -1.33509449         -0.51013114
     6          0.45218469         -0.16747517          1.79877613
     6         -0.65426591          2.51819149          1.61728031
     8         -0.92373926          3.05279597         -1.06020152
     8         -0.96263266          0.71670742         -4.61712433
     8          0.28753686         -3.48191667         -1.53686852
     1         -2.84421426         -1.75092919          0.00360528
     1          0.57324430          3.96495452          2.40928737
     1         -2.51950098          2.64792166          2.49151109
     1          0.19548180         -3.32322763         -3.35795928
     6          3.31902160         -0.11001603          1.41659827
     6         -0.23119251         -1.46218598          4.27766233
     1          3.84121063          0.89851406         -0.30523719
     1          4.06280593         -2.02237814          1.27290475
     1          4.22411125          0.83408465          3.01124771
     1         -2.27539114         -1.53576762          4.54844518
     1          0.59446717         -0.46386802          5.88455571
     1          0.48775168         -3.39383512          4.29799428

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.142388D+01      0.361915D+01      0.120722D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.142388D+01      0.361915D+01      0.120722D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.774738D+02      0.114804D+02      0.127737D+02
   aniso      0.181487D+02      0.268936D+01      0.299231D+01
   xx         0.695417D+02      0.103050D+02      0.114659D+02
   yx        -0.149906D+01     -0.222138D+00     -0.247162D+00
   yy         0.741375D+02      0.109860D+02      0.122236D+02
   zx         0.178819D+01      0.264983D+00      0.294833D+00
   zy         0.195757D+01      0.290082D+00      0.322759D+00
   zz         0.887423D+02      0.131503D+02      0.146316D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.836854D+02      0.124009D+02      0.137979D+02
   aniso      0.190974D+02      0.282994D+01      0.314873D+01
   xx         0.749263D+02      0.111029D+02      0.123537D+02
   yx        -0.149905D+01     -0.222136D+00     -0.247160D+00
   yy         0.806603D+02      0.119526D+02      0.132991D+02
   zx         0.195560D+01      0.289790D+00      0.322435D+00
   zy         0.176851D+01      0.262067D+00      0.291588D+00
   zz         0.954696D+02      0.141471D+02      0.157408D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K10-13-01\Freq\RLC-PBEPBE\Gen\C6H10O3\PIERPA\28-Jul-2021\
 0\\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,T
 ight) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028
 0000000,3/108=0280000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/
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 WOMEN HOLD UP HALF THE SKY. -- MAO TSE TUNG
 Job cpu time:       0 days  7 hours  5 minutes 36.7 seconds.
 Elapsed time:       0 days  0 hours 53 minutes 48.1 seconds.
 File lengths (MBytes):  RWF=    256 Int=      0 D2E=      0 Chk=     11 Scr=      2
 Normal termination of Gaussian 16 at Wed Jul 28 20:09:36 2021.
